N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

C24H25BrCl2N2O3 — CID 76554619

IUPACN-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(C(Cc1ccc(Br)cc1)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1)N1CCC(O)CC1
InChIInChI=1S/C24H25BrCl2N2O3/c25-16-3-1-15(2-4-16)13-21(22(31)29-11-7-18(30)8-12-29)28-23(32)24(9-10-24)19-6-5-17(26)14-20(19)27/h1-6,14,18,21,30H,7-13H2,(H,28,32)
InChIKeyPVRCCDCVZYOJAG-UHFFFAOYSA-N
MW540.29 g/mol
LogP4.50
Rot. Bonds6

About N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide

N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 76554619) has the molecular formula C24H25BrCl2N2O3 and a molecular weight of 540.29 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID76554619
Molecular FormulaC24H25BrCl2N2O3
Molecular Weight540.29 g/mol
Exact Mass538.04
IUPAC NameN-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(C(Cc1ccc(Br)cc1)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1)N1CCC(O)CC1
InChIInChI=1S/C24H25BrCl2N2O3/c25-16-3-1-15(2-4-16)13-21(22(31)29-11-7-18(30)8-12-29)28-23(32)24(9-10-24)19-6-5-17(26)14-20(19)27/h1-6,14,18,21,30H,7-13H2,(H,28,32)
InChIKeyPVRCCDCVZYOJAG-UHFFFAOYSA-N
XLogP4.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.29
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 75229212
N-[1-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 146256797
N-[(2S)-1-(4-aminopiperidin-1-yl)-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 153279919
N-[(2S)-3-(2,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 89044978
1-(2,4-dichlorophenyl)-N-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylmethoxypropan-2-yl]cyclopropane-1-carboxamide
CID 75229165
N-[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl]-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 68755589
1-(2,4-dichlorophenyl)-N-[(2S)-1-oxo-1-(pyrrolidin-2-ylmethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]cyclopropane-1-carboxamide
CID 70865953
1-(2,4-dichlorophenyl)-N-[(2S)-3-(3,4-dichlorophenyl)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 70865944
(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
CID 68795430
1-(2,4-dichlorophenyl)-N-[(2S)-3-(2,4-dichlorophenyl)-1-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 70865936
N-[3-(4-bromophenyl)-1-oxo-1-(pyrrolidin-3-ylamino)propan-2-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 91249659
N-[(2S)-1-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 46892214

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide (CID 76554619) is N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is O=C(C(Cc1ccc(Br)cc1)NC(=O)C1(c2ccc(Cl)cc2Cl)CC1)N1CCC(O)CC1.
What is the InChIKey of N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is PVRCCDCVZYOJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrCl2N2O3/c25-16-3-1-15(2-4-16)13-21(22(31)29-11-7-18(30)8-12-29)28-23(32)24(9-10-24)19-6-5-17(26)14-20(19)27/h1-6,14,18,21,30H,7-13H2,(H,28,32).
What are the key properties of N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide?
N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 540.29 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 76554619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).