N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide

C16H23ClN2O — CID 114545928

IUPACN-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC1CCC(C)(C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-4-5-12(17)8-14(11)19-15(20)10-18-13-6-7-16(2,3)9-13/h4-5,8,13,18H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyZFNFIBHERRLDHV-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.76
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide (PubChem CID 114545928) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
PubChem CID114545928
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC1CCC(C)(C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-4-5-12(17)8-14(11)19-15(20)10-18-13-6-7-16(2,3)9-13/h4-5,8,13,18H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyZFNFIBHERRLDHV-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(cyclopropylamino)acetamide
CID 43405290
2-[(3,3-dimethylcyclopentyl)amino]-N-(3-methylphenyl)acetamide
CID 114546053
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
CID 62406464
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
1-N'-(5-chloro-2-methylphenyl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970699

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide (CID 114545928) is N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNC1CCC(C)(C)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
The InChIKey is ZFNFIBHERRLDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-4-5-12(17)8-14(11)19-15(20)10-18-13-6-7-16(2,3)9-13/h4-5,8,13,18H,6-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide has a molecular weight of 294.83 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(3,3-dimethylcyclopentyl)amino]acetamide is sourced from PubChem (CID 114545928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).