N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide

C16H23ClN2O — CID 107098226

IUPACN-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
SMILESCCN(C(=O)c1cccc(Cl)c1C)C1CCCC1CN
InChIInChI=1S/C16H23ClN2O/c1-3-19(15-9-4-6-12(15)10-18)16(20)13-7-5-8-14(17)11(13)2/h5,7-8,12,15H,3-4,6,9-10,18H2,1-2H3
InChIKeyYAZRCOVUBZTARG-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide

N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide (PubChem CID 107098226) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
PubChem CID107098226
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
SMILESCCN(C(=O)c1cccc(Cl)c1C)C1CCCC1CN
InChIInChI=1S/C16H23ClN2O/c1-3-19(15-9-4-6-12(15)10-18)16(20)13-7-5-8-14(17)11(13)2/h5,7-8,12,15H,3-4,6,9-10,18H2,1-2H3
InChIKeyYAZRCOVUBZTARG-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-(3-methyl-2-pyridinyl)acetamide
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N-butyl-3-chloro-2-methyl-N-piperidin-4-ylbenzamide
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3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methoxy-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide (CID 107098226) is N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide is CCN(C(=O)c1cccc(Cl)c1C)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide?
The InChIKey is YAZRCOVUBZTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-19(15-9-4-6-12(15)10-18)16(20)13-7-5-8-14(17)11(13)2/h5,7-8,12,15H,3-4,6,9-10,18H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 107098226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).