3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide

C18H19ClN2O2 — CID 17102477

IUPAC3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)17(23)21-15-9-5-8-14(11-15)20-16(22)12-6-4-7-13(19)10-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyJBJHAJITXIDOCP-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.58
Rot. Bonds3

About 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide

3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide (PubChem CID 17102477) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
PubChem CID17102477
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)17(23)21-15-9-5-8-14(11-15)20-16(22)12-6-4-7-13(19)10-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyJBJHAJITXIDOCP-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17204735
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide (CID 17102477) is 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
The InChIKey is JBJHAJITXIDOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(2,3)17(23)21-15-9-5-8-14(11-15)20-16(22)12-6-4-7-13(19)10-12/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide?
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 17102477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).