5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide

C17H19ClN2O — CID 61140358

IUPAC5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(N)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,12-6-4-3-5-7-12)11-20-16(21)14-10-13(19)8-9-15(14)18/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyAOVFOCFQNOFPTL-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.63
Rot. Bonds4

About 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide

5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide (PubChem CID 61140358) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
PubChem CID61140358
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cc(N)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,12-6-4-3-5-7-12)11-20-16(21)14-10-13(19)8-9-15(14)18/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyAOVFOCFQNOFPTL-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.63
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

5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 115540422
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 81228566
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120630065
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 60748585
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
The IUPAC name of 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide (CID 61140358) is 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide is CC(C)(CNC(=O)c1cc(N)ccc1Cl)c1ccccc1.
What is the InChIKey of 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
The InChIKey is AOVFOCFQNOFPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,12-6-4-3-5-7-12)11-20-16(21)14-10-13(19)8-9-15(14)18/h3-10H,11,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide is sourced from PubChem (CID 61140358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).