cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide

C32H33Cl2F2N3O2 — CID 142777847

IUPACcis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(F)cc1C1CCN(C[C@@H]2C[C@@]2(C(=O)NCCc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C32H33Cl2F2N3O2/c1-20(40)38-30-9-7-26(36)17-27(30)22-11-14-39(15-12-22)19-24-18-32(24,23-4-8-28(33)29(34)16-23)31(41)37-13-10-21-2-5-25(35)6-3-21/h2-9,16-17,22,24H,10-15,18-19H2,1H3,(H,37,41)(H,38,40)/t24-,32+/m0/s1
InChIKeyGPVAFFVTVGHWGW-NRUKRWIHSA-N
MW600.54 g/mol
LogP6.73
Rot. Bonds9

About cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 142777847) has the molecular formula C32H33Cl2F2N3O2 and a molecular weight of 600.54 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID142777847
Molecular FormulaC32H33Cl2F2N3O2
Molecular Weight600.54 g/mol
Exact Mass599.19
IUPAC Namecis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(F)cc1C1CCN(C[C@@H]2C[C@@]2(C(=O)NCCc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C32H33Cl2F2N3O2/c1-20(40)38-30-9-7-26(36)17-27(30)22-11-14-39(15-12-22)19-24-18-32(24,23-4-8-28(33)29(34)16-23)31(41)37-13-10-21-2-5-25(35)6-3-21/h2-9,16-17,22,24H,10-15,18-19H2,1H3,(H,37,41)(H,38,40)/t24-,32+/m0/s1
InChIKeyGPVAFFVTVGHWGW-NRUKRWIHSA-N
XLogP6.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.54
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142777906
cis-(1S,2R)-2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-1-(3,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 142777844
2-[(4-benzylpiperazin-1-yl)methyl]-1-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 142777919
2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]methyl]-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142777885
2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142775183
cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(4-methoxyphenyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142777867
1-[(3,4-dichlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 9266283
1-phenyl-N-(2-phenylethyl)-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide
CID 142777853
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 53320999
cis-(1S,2S)-2-[(Z)-2-chloroethenyl]-1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 87393835
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137792

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide (CID 142777847) is cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide is CC(=O)Nc1ccc(F)cc1C1CCN(C[C@@H]2C[C@@]2(C(=O)NCCc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is GPVAFFVTVGHWGW-NRUKRWIHSA-N. The full InChI is InChI=1S/C32H33Cl2F2N3O2/c1-20(40)38-30-9-7-26(36)17-27(30)22-11-14-39(15-12-22)19-24-18-32(24,23-4-8-28(33)29(34)16-23)31(41)37-13-10-21-2-5-25(35)6-3-21/h2-9,16-17,22,24H,10-15,18-19H2,1H3,(H,37,41)(H,38,40)/t24-,32+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 600.54 g/mol, XLogP of 6.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[4-(2-acetamido-5-fluorophenyl)piperidin-1-yl]methyl]-1-(3,4-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142777847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).