2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide

C15H23ClN2O — CID 65226183

IUPAC2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide
SMILESCCCC(CN)C(=O)NC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-3-4-13(10-17)15(19)18-11(2)9-12-5-7-14(16)8-6-12/h5-8,11,13H,3-4,9-10,17H2,1-2H3,(H,18,19)
InChIKeyOVYSAPOOQGFHDD-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.76
Rot. Bonds7

About 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide

2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide (PubChem CID 65226183) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide
PubChem CID65226183
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide
SMILESCCCC(CN)C(=O)NC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-3-4-13(10-17)15(19)18-11(2)9-12-5-7-14(16)8-6-12/h5-8,11,13H,3-4,9-10,17H2,1-2H3,(H,18,19)
InChIKeyOVYSAPOOQGFHDD-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
(2S)-2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-4-methylsulfanylbutanamide
CID 61156330
2-amino-N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpentanamide
CID 54928444
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81490077
2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
CID 43697058
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
CID 107472103
2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354622
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide (CID 65226183) is 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide is CCCC(CN)C(=O)NC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide?
The InChIKey is OVYSAPOOQGFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-4-13(10-17)15(19)18-11(2)9-12-5-7-14(16)8-6-12/h5-8,11,13H,3-4,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide?
2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide has a molecular weight of 282.81 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide is sourced from PubChem (CID 65226183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).