2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide

C14H19ClN2O — CID 113269199

IUPAC2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CCCC2CN)c1
InChIInChI=1S/C14H19ClN2O/c1-9-5-6-12(15)13(7-9)17-14(18)11-4-2-3-10(11)8-16/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyIOSZFYKRNVGLKV-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.96
Rot. Bonds3

About 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide

2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 113269199) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
PubChem CID113269199
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Cl)c(NC(=O)C2CCCC2CN)c1
InChIInChI=1S/C14H19ClN2O/c1-9-5-6-12(15)13(7-9)17-14(18)11-4-2-3-10(11)8-16/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18)
InChIKeyIOSZFYKRNVGLKV-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82756721
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
2-(aminomethyl)-N-(4-chloro-3-methoxyphenyl)cyclopentane-1-carboxamide
CID 107621850
2-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 107790344
N-(2-chloro-5-methylphenyl)cyclohexanecarboxamide
CID 123821603
2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
CID 64822911
2-(aminomethyl)-N-(2-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 79043281
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
2-(aminomethyl)-N-(3-bromo-5-methylphenyl)cyclohexane-1-carboxamide
CID 107583536
N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399040
2-(aminomethyl)-N-(3-chloro-4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 107679848
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide (CID 113269199) is 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(Cl)c(NC(=O)C2CCCC2CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is IOSZFYKRNVGLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-5-6-12(15)13(7-9)17-14(18)11-4-2-3-10(11)8-16/h5-7,10-11H,2-4,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide?
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 113269199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).