3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide

C16H17ClN2O — CID 115930102

IUPAC3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(N)c2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-10(2)11-6-8-12(9-7-11)19-16(20)13-4-3-5-14(18)15(13)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyARGHKRKCPKYKFF-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.30
Rot. Bonds3

About 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide

3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 115930102) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
PubChem CID115930102
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(N)c2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-10(2)11-6-8-12(9-7-11)19-16(20)13-4-3-5-14(18)15(13)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyARGHKRKCPKYKFF-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.30
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

3-amino-2-chloro-N-(4-methylphenyl)benzamide
CID 112574116
2-amino-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 115930617
3-amino-2-chloro-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 115930162

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide (CID 115930102) is 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2cccc(N)c2Cl)cc1.
What is the InChIKey of 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is ARGHKRKCPKYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10(2)11-6-8-12(9-7-11)19-16(20)13-4-3-5-14(18)15(13)17/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide?
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 288.78 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 115930102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).