3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide

C16H13ClN2O — CID 107096775

IUPAC3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C16H13ClN2O/c1-11-14(7-4-8-15(11)17)16(20)19(2)13-6-3-5-12(9-13)10-18/h3-9H,1-2H3
InChIKeySTJFWQJJBLTHLU-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.80
Rot. Bonds2

About 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide

3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide (PubChem CID 107096775) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
PubChem CID107096775
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide
SMILESCc1c(Cl)cccc1C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C16H13ClN2O/c1-11-14(7-4-8-15(11)17)16(20)19(2)13-6-3-5-12(9-13)10-18/h3-9H,1-2H3
InChIKeySTJFWQJJBLTHLU-UHFFFAOYSA-N
XLogP3.80
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3-cyanophenyl)-3-fluoro-N-methylbenzamide
CID 79035918
3-amino-5-bromo-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107872715
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
5-bromo-N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407994
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide?
The IUPAC name of 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide (CID 107096775) is 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide?
The canonical SMILES for 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide is Cc1c(Cl)cccc1C(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide?
The InChIKey is STJFWQJJBLTHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-11-14(7-4-8-15(11)17)16(20)19(2)13-6-3-5-12(9-13)10-18/h3-9H,1-2H3.
What are the key properties of 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide?
3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide has a molecular weight of 284.75 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyanophenyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 107096775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).