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

C17H19ClN2O — CID 43704006

IUPAC3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1cccc(N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)16(12-6-8-14(18)9-7-12)20-17(21)13-4-3-5-15(19)10-13/h3-11,16H,19H2,1-2H3,(H,20,21)
InChIKeyJAUXSYZMESBBMV-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.05
Rot. Bonds4

About 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide

3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide (PubChem CID 43704006) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
PubChem CID43704006
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1cccc(N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)16(12-6-8-14(18)9-7-12)20-17(21)13-4-3-5-15(19)10-13/h3-11,16H,19H2,1-2H3,(H,20,21)
InChIKeyJAUXSYZMESBBMV-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
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

4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
3-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]benzamide
CID 119691905
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
CID 79693410
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 43705350
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-3-(methylsulfamoyl)benzamide
CID 42919490
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
The IUPAC name of 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide (CID 43704006) is 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide is CC(C)C(NC(=O)c1cccc(N)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
The InChIKey is JAUXSYZMESBBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)16(12-6-8-14(18)9-7-12)20-17(21)13-4-3-5-15(19)10-13/h3-11,16H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 43704006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).