5-amino-3-chloro-2-(3-phenylpropylamino)benzamide

C16H18ClN3O — CID 107194330

IUPAC5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCCc1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-14-10-12(18)9-13(16(19)21)15(14)20-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8,18H2,(H2,19,21)
InChIKeyRTGKUZXNNAQABA-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.07
Rot. Bonds6

About 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide

5-amino-3-chloro-2-(3-phenylpropylamino)benzamide (PubChem CID 107194330) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
PubChem CID107194330
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCCc1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-14-10-12(18)9-13(16(19)21)15(14)20-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8,18H2,(H2,19,21)
InChIKeyRTGKUZXNNAQABA-UHFFFAOYSA-N
XLogP3.07
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
CID 107194939
5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
CID 107194342
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide (CID 107194330) is 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCCc1ccccc1.
What is the InChIKey of 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide?
The InChIKey is RTGKUZXNNAQABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-10-12(18)9-13(16(19)21)15(14)20-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8,18H2,(H2,19,21).
What are the key properties of 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide?
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(3-phenylpropylamino)benzamide is sourced from PubChem (CID 107194330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).