2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide

C17H19ClN2O — CID 115540422

IUPAC2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1N)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,12-7-4-3-5-8-12)11-20-16(21)13-9-6-10-14(18)15(13)19/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyFMGVEVRITSDFOX-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.63
Rot. Bonds4

About 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide

2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide (PubChem CID 115540422) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
PubChem CID115540422
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(Cl)c1N)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,12-7-4-3-5-8-12)11-20-16(21)13-9-6-10-14(18)15(13)19/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyFMGVEVRITSDFOX-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-methyl-2-phenylpropyl)benzamide
CID 61140358
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
2-amino-3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide
CID 106249355
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
2-amino-3-chloro-N-propylbenzamide
CID 80503191
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 81228566
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2-amino-3-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 115540177
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide (CID 115540422) is 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide is CC(C)(CNC(=O)c1cccc(Cl)c1N)c1ccccc1.
What is the InChIKey of 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
The InChIKey is FMGVEVRITSDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,12-7-4-3-5-8-12)11-20-16(21)13-9-6-10-14(18)15(13)19/h3-10H,11,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide?
2-amino-3-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 2-amino-3-chloro-N-(2-methyl-2-phenylpropyl)benzamide is sourced from PubChem (CID 115540422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).