2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide

C17H19ClN2O — CID 115540229

IUPAC2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C17H19ClN2O/c1-12(10-11-13-6-3-2-4-7-13)20-17(21)14-8-5-9-15(18)16(14)19/h2-9,12H,10-11,19H2,1H3,(H,20,21)
InChIKeyWCXDFTRZKPMYSO-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.67
Rot. Bonds5

About 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide

2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 115540229) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
PubChem CID115540229
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1cccc(Cl)c1N
InChIInChI=1S/C17H19ClN2O/c1-12(10-11-13-6-3-2-4-7-13)20-17(21)14-8-5-9-15(18)16(14)19/h2-9,12H,10-11,19H2,1H3,(H,20,21)
InChIKeyWCXDFTRZKPMYSO-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.67
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-(4-methylpentan-2-yl)benzamide
CID 113331662
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531323
2-amino-3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 115540690
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
CID 115930534

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide (CID 115540229) is 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1cccc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is WCXDFTRZKPMYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12(10-11-13-6-3-2-4-7-13)20-17(21)14-8-5-9-15(18)16(14)19/h2-9,12H,10-11,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide?
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.67, 5 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-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 115540229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).