3-chloro-N-quinolin-5-ylbenzamide

C16H11ClN2O — CID 5127132

IUPAC3-chloro-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-12-5-1-4-11(10-12)16(20)19-15-8-2-7-14-13(15)6-3-9-18-14/h1-10H,(H,19,20)
InChIKeyDCEDAHYQRKUTCP-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.14
Rot. Bonds2

About 3-chloro-N-quinolin-5-ylbenzamide

3-chloro-N-quinolin-5-ylbenzamide (PubChem CID 5127132) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-quinolin-5-ylbenzamide
PubChem CID5127132
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name3-chloro-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1cccc(Cl)c1
InChIInChI=1S/C16H11ClN2O/c17-12-5-1-4-11(10-12)16(20)19-15-8-2-7-14-13(15)6-3-9-18-14/h1-10H,(H,19,20)
InChIKeyDCEDAHYQRKUTCP-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

2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
6-amino-5-chloro-N-quinolin-5-ylpyridine-3-carboxamide
CID 62151637
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
3-(3-chlorophenyl)-N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 46404499
3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
3-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958850
3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3965193
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-quinolin-5-ylbenzamide?
The IUPAC name of 3-chloro-N-quinolin-5-ylbenzamide (CID 5127132) is 3-chloro-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 3-chloro-N-quinolin-5-ylbenzamide?
The canonical SMILES for 3-chloro-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-quinolin-5-ylbenzamide?
The InChIKey is DCEDAHYQRKUTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-12-5-1-4-11(10-12)16(20)19-15-8-2-7-14-13(15)6-3-9-18-14/h1-10H,(H,19,20).
What are the key properties of 3-chloro-N-quinolin-5-ylbenzamide?
3-chloro-N-quinolin-5-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-5-ylbenzamide is sourced from PubChem (CID 5127132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).