N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide

C23H22Cl2FN3O3 — CID 60589532

IUPACN-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2FN3O3/c1-13-8-18(13)21(30)27-20-3-2-17(26)12-19(20)23(32)29-6-4-28(5-7-29)22(31)14-9-15(24)11-16(25)10-14/h2-3,9-13,18H,4-8H2,1H3,(H,27,30)
InChIKeyRGDJZXCFYKLCOV-UHFFFAOYSA-N
MW478.35 g/mol
LogP4.33
Rot. Bonds4

About N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide

N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 60589532) has the molecular formula C23H22Cl2FN3O3 and a molecular weight of 478.35 g/mol. Its IUPAC name is N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID60589532
Molecular FormulaC23H22Cl2FN3O3
Molecular Weight478.35 g/mol
Exact Mass477.10
IUPAC NameN-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2FN3O3/c1-13-8-18(13)21(30)27-20-3-2-17(26)12-19(20)23(32)29-6-4-28(5-7-29)22(31)14-9-15(24)11-16(25)10-14/h2-3,9-13,18H,4-8H2,1H3,(H,27,30)
InChIKeyRGDJZXCFYKLCOV-UHFFFAOYSA-N
XLogP4.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 110907403
cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95233166
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 94646964
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110907395
N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270
5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 61406284
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111539616
N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 112836565

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide (CID 60589532) is N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is RGDJZXCFYKLCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2FN3O3/c1-13-8-18(13)21(30)27-20-3-2-17(26)12-19(20)23(32)29-6-4-28(5-7-29)22(31)14-9-15(24)11-16(25)10-14/h2-3,9-13,18H,4-8H2,1H3,(H,27,30).
What are the key properties of N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide?
N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 478.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 60589532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).