N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide

C14H19ClN2O — CID 82883175

IUPACN-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C14H19ClN2O/c1-10-4-5-11(15)8-12(10)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyRRUDDSPEMFYYAH-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.65
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide

N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide (PubChem CID 82883175) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
PubChem CID82883175
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CN)CCCC1
InChIInChI=1S/C14H19ClN2O/c1-10-4-5-11(15)8-12(10)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18)
InChIKeyRRUDDSPEMFYYAH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119565199
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
N-[1-(aminomethyl)cyclohexyl]-2-hydroxy-4-methylbenzamide
CID 63756003
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
CID 119567613

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide (CID 82883175) is N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
The InChIKey is RRUDDSPEMFYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-4-5-11(15)8-12(10)13(18)17-14(9-16)6-2-3-7-14/h4-5,8H,2-3,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide?
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide has a molecular weight of 266.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide is sourced from PubChem (CID 82883175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).