3-chloro-N-quinolin-3-ylbenzamide

C16H11ClN2O — CID 3284385

IUPAC3-chloro-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-13-6-3-5-12(8-13)16(20)19-14-9-11-4-1-2-7-15(11)18-10-14/h1-10H,(H,19,20)
InChIKeyIWMJNQRPHDWQSW-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 3-chloro-N-quinolin-3-ylbenzamide

3-chloro-N-quinolin-3-ylbenzamide (PubChem CID 3284385) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-quinolin-3-ylbenzamide
PubChem CID3284385
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name3-chloro-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-13-6-3-5-12(8-13)16(20)19-14-9-11-4-1-2-7-15(11)18-10-14/h1-10H,(H,19,20)
InChIKeyIWMJNQRPHDWQSW-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
3-amino-4-fluoro-N-quinolin-3-ylbenzamide
CID 61111864
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
3-(dipropylamino)-N-quinolin-3-ylbenzamide
CID 66815676
6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-quinolin-3-ylbenzamide?
The IUPAC name of 3-chloro-N-quinolin-3-ylbenzamide (CID 3284385) is 3-chloro-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 3-chloro-N-quinolin-3-ylbenzamide?
The canonical SMILES for 3-chloro-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-quinolin-3-ylbenzamide?
The InChIKey is IWMJNQRPHDWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-13-6-3-5-12(8-13)16(20)19-14-9-11-4-1-2-7-15(11)18-10-14/h1-10H,(H,19,20).
What are the key properties of 3-chloro-N-quinolin-3-ylbenzamide?
3-chloro-N-quinolin-3-ylbenzamide has a molecular weight of 282.73 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 3284385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).