2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide

C16H17ClN2O — CID 91395635

IUPAC2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1N)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-11(2)19(13-6-4-3-5-7-13)16(20)14-9-8-12(17)10-15(14)18/h3-11H,18H2,1-2H3
InChIKeyJMERMJXVABHAOH-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.98
Rot. Bonds3

About 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide

2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide (PubChem CID 91395635) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
PubChem CID91395635
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1N)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-11(2)19(13-6-4-3-5-7-13)16(20)14-9-8-12(17)10-15(14)18/h3-11H,18H2,1-2H3
InChIKeyJMERMJXVABHAOH-UHFFFAOYSA-N
XLogP3.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
CID 52663224
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 91421539
2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide
CID 91542770
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
2-amino-4-chloro-N,N-dipropylbenzamide
CID 16771430
2-amino-4-chloro-N-methyl-N-pyridin-4-ylbenzamide
CID 106934198

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide (CID 91395635) is 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1ccc(Cl)cc1N)c1ccccc1.
What is the InChIKey of 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide?
The InChIKey is JMERMJXVABHAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(2)19(13-6-4-3-5-7-13)16(20)14-9-8-12(17)10-15(14)18/h3-11H,18H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide?
2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 91395635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).