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

C16H16ClNO — CID 681881

IUPAC3-chloro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-11(2)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(17)10-12/h3-11H,1-2H3,(H,18,19)
InChIKeyRWXPPLIBRLNERK-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.72
Rot. Bonds3

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

3-chloro-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 681881) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-chloro-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-propan-2-ylphenyl)benzamide
PubChem CID681881
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-chloro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO/c1-11(2)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(17)10-12/h3-11H,1-2H3,(H,18,19)
InChIKeyRWXPPLIBRLNERK-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
N-(2-propan-2-ylphenyl)benzamide
CID 723391
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2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
4-bromo-3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 81308068
3-N-(1-phenylethyl)-1-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054468
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
2,6-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 4547297
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 62592259

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(2-propan-2-ylphenyl)benzamide (CID 681881) is 3-chloro-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is RWXPPLIBRLNERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-11(2)14-8-3-4-9-15(14)18-16(19)12-6-5-7-13(17)10-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(2-propan-2-ylphenyl)benzamide?
3-chloro-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 273.76 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 681881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).