2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide

C14H7Cl3N2O — CID 103799731

IUPAC2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl3N2O/c15-9-2-3-11(16)10(6-9)14(20)19-13-4-1-8(7-18)5-12(13)17/h1-6H,(H,19,20)
InChIKeyIPFCDPCTEMGRKV-UHFFFAOYSA-N
MW325.58 g/mol
LogP4.77
Rot. Bonds2

About 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide

2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide (PubChem CID 103799731) has the molecular formula C14H7Cl3N2O and a molecular weight of 325.58 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
PubChem CID103799731
Molecular FormulaC14H7Cl3N2O
Molecular Weight325.58 g/mol
Exact Mass323.96
IUPAC Name2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl3N2O/c15-9-2-3-11(16)10(6-9)14(20)19-13-4-1-8(7-18)5-12(13)17/h1-6H,(H,19,20)
InChIKeyIPFCDPCTEMGRKV-UHFFFAOYSA-N
XLogP4.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811009
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide (CID 103799731) is 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide is N#Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1.
What is the InChIKey of 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide?
The InChIKey is IPFCDPCTEMGRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O/c15-9-2-3-11(16)10(6-9)14(20)19-13-4-1-8(7-18)5-12(13)17/h1-6H,(H,19,20).
What are the key properties of 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide?
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide has a molecular weight of 325.58 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide is sourced from PubChem (CID 103799731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).