2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide

C15H10Cl2N2O — CID 62982925

IUPAC2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C15H10Cl2N2O/c1-19(12-5-2-10(9-18)3-6-12)15(20)13-8-11(16)4-7-14(13)17/h2-8H,1H3
InChIKeyXLLXXYDOLZLFRM-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.14
Rot. Bonds2

About 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide

2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide (PubChem CID 62982925) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
PubChem CID62982925
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1
InChIInChI=1S/C15H10Cl2N2O/c1-19(12-5-2-10(9-18)3-6-12)15(20)13-8-11(16)4-7-14(13)17/h2-8H,1H3
InChIKeyXLLXXYDOLZLFRM-UHFFFAOYSA-N
XLogP4.14
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
CID 114918456
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
N-(4-cyanophenyl)-N,2,4-trimethylbenzamide
CID 62982931
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-cyanophenyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107671429
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
3-(4-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62983110
5-amino-2-bromo-N-(4-cyanophenyl)-N-methylbenzamide
CID 62983322
4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981263
N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62980842

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide (CID 62982925) is 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide is CN(C(=O)c1cc(Cl)ccc1Cl)c1ccc(C#N)cc1.
What is the InChIKey of 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide?
The InChIKey is XLLXXYDOLZLFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-19(12-5-2-10(9-18)3-6-12)15(20)13-8-11(16)4-7-14(13)17/h2-8H,1H3.
What are the key properties of 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide?
2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide has a molecular weight of 305.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 62982925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).