1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide

C16H23ClN2O — CID 115434829

IUPAC1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1(CN)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-2-14(12-5-7-13(17)8-6-12)19-15(20)16(11-18)9-3-4-10-16/h5-8,14H,2-4,9-11,18H2,1H3,(H,19,20)
InChIKeyHOMZVRCWSXXXDK-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.43
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide (PubChem CID 115434829) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide
PubChem CID115434829
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1(CN)CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-2-14(12-5-7-13(17)8-6-12)19-15(20)16(11-18)9-3-4-10-16/h5-8,14H,2-4,9-11,18H2,1H3,(H,19,20)
InChIKeyHOMZVRCWSXXXDK-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide (CID 115434829) is 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide is CCC(NC(=O)C1(CN)CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide?
The InChIKey is HOMZVRCWSXXXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-14(12-5-7-13(17)8-6-12)19-15(20)16(11-18)9-3-4-10-16/h5-8,14H,2-4,9-11,18H2,1H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115434829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).