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

C17H19ClN2O — CID 43704007

IUPAC4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)16(12-3-7-14(18)8-4-12)20-17(21)13-5-9-15(19)10-6-13/h3-11,16H,19H2,1-2H3,(H,20,21)
InChIKeyKJMSVCNWUZFALT-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.05
Rot. Bonds4

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

4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide (PubChem CID 43704007) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
PubChem CID43704007
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)16(12-3-7-14(18)8-4-12)20-17(21)13-5-9-15(19)10-6-13/h3-11,16H,19H2,1-2H3,(H,20,21)
InChIKeyKJMSVCNWUZFALT-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-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006
4-fluoro-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670868
4-fluoro-N-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]benzamide
CID 7670865
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
CID 79693410
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-amino-N'-(4-chlorobenzoyl)benzohydrazide
CID 785216
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24625973
N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide
CID 51962264

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide (CID 43704007) is 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide is CC(C)C(NC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
The InChIKey is KJMSVCNWUZFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)16(12-3-7-14(18)8-4-12)20-17(21)13-5-9-15(19)10-6-13/h3-11,16H,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide?
4-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 4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 43704007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).