N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide

C22H25ClN2O2 — CID 39466401

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-16(26)25(2)15-17-7-5-10-20(13-17)24-21(27)22(11-3-4-12-22)18-8-6-9-19(23)14-18/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,27)
InChIKeyUQLIUMWOPWMROK-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.77
Rot. Bonds5

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide (PubChem CID 39466401) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
PubChem CID39466401
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-16(26)25(2)15-17-7-5-10-20(13-17)24-21(27)22(11-3-4-12-22)18-8-6-9-19(23)14-18/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,27)
InChIKeyUQLIUMWOPWMROK-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
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1-(3-chlorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
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3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
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1-(3-chlorophenyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 110439132
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
1-(3-chlorophenyl)-N-[4-[methoxy(methyl)sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 134047590
N-(5-acetamido-2-pyridinyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 139002279
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide (CID 39466401) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide is CC(=O)N(C)Cc1cccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is UQLIUMWOPWMROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16(26)25(2)15-17-7-5-10-20(13-17)24-21(27)22(11-3-4-12-22)18-8-6-9-19(23)14-18/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 39466401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).