2-amino-N-[1-(4-chlorophenyl)propyl]benzamide

C16H17ClN2O — CID 61214980

IUPAC2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-15(11-7-9-12(17)10-8-11)19-16(20)13-5-3-4-6-14(13)18/h3-10,15H,2,18H2,1H3,(H,19,20)
InChIKeyXUCDSFHEAZVODL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.80
Rot. Bonds4

About 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide

2-amino-N-[1-(4-chlorophenyl)propyl]benzamide (PubChem CID 61214980) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
PubChem CID61214980
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-2-15(11-7-9-12(17)10-8-11)19-16(20)13-5-3-4-6-14(13)18/h3-10,15H,2,18H2,1H3,(H,19,20)
InChIKeyXUCDSFHEAZVODL-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811
2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide
CID 69077812
3-bromo-N-[1-(4-chlorophenyl)propyl]-2-fluorobenzamide
CID 107951914
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
N-[2-[[(1S)-1-(4-chlorophenyl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 41490453

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide (CID 61214980) is 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide is CCC(NC(=O)c1ccccc1N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide?
The InChIKey is XUCDSFHEAZVODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-15(11-7-9-12(17)10-8-11)19-16(20)13-5-3-4-6-14(13)18/h3-10,15H,2,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide?
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)propyl]benzamide is sourced from PubChem (CID 61214980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).