2-amino-3-chloro-N-(2-phenylpropyl)benzamide

C16H17ClN2O — CID 115540226

IUPAC2-amino-3-chloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(Cl)c1N)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-11(12-6-3-2-4-7-12)10-19-16(20)13-8-5-9-14(17)15(13)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyDYTGWBZOWQJYQH-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.46
Rot. Bonds4

About 2-amino-3-chloro-N-(2-phenylpropyl)benzamide

2-amino-3-chloro-N-(2-phenylpropyl)benzamide (PubChem CID 115540226) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-phenylpropyl)benzamide
PubChem CID115540226
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-3-chloro-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(Cl)c1N)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-11(12-6-3-2-4-7-12)10-19-16(20)13-8-5-9-14(17)15(13)18/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyDYTGWBZOWQJYQH-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
3-amino-4,5-dichloro-N-(2-phenylpropyl)benzamide
CID 61113200
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
2-chloro-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111342219
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
2-amino-3-chloro-N-propylbenzamide
CID 80503191
2-(ethylamino)-N-(2-phenylpropyl)benzamide
CID 63107799
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
6-amino-5-chloro-N-(2-phenylpropyl)pyridine-3-carboxamide
CID 115601161
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570853

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-phenylpropyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-phenylpropyl)benzamide (CID 115540226) is 2-amino-3-chloro-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1cccc(Cl)c1N)c1ccccc1.
What is the InChIKey of 2-amino-3-chloro-N-(2-phenylpropyl)benzamide?
The InChIKey is DYTGWBZOWQJYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(12-6-3-2-4-7-12)10-19-16(20)13-8-5-9-14(17)15(13)18/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-chloro-N-(2-phenylpropyl)benzamide?
2-amino-3-chloro-N-(2-phenylpropyl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 115540226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).