2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide

C11H10Cl2N2O — CID 60968665

IUPAC2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
SMILESCC(C)(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-11(2,6-14)15-10(16)8-5-7(12)3-4-9(8)13/h3-5H,1-2H3,(H,15,16)
InChIKeyGNJBVYXHXCUKND-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.03
Rot. Bonds2

About 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide

2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide (PubChem CID 60968665) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
PubChem CID60968665
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
SMILESCC(C)(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-11(2,6-14)15-10(16)8-5-7(12)3-4-9(8)13/h3-5H,1-2H3,(H,15,16)
InChIKeyGNJBVYXHXCUKND-UHFFFAOYSA-N
XLogP3.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 122583229
methyl 2-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
CID 79035909
2-chloro-N-(2-cyanopropan-2-yl)-4-nitrobenzamide
CID 520009
2,5-dichloro-N-(1-cyanoethyl)benzamide
CID 61121833
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797
N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 90177496
2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid
CID 590819
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide (CID 60968665) is 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide is CC(C)(C#N)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
The InChIKey is GNJBVYXHXCUKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-11(2,6-14)15-10(16)8-5-7(12)3-4-9(8)13/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide has a molecular weight of 257.12 g/mol, XLogP of 3.03, 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-cyanopropan-2-yl)benzamide is sourced from PubChem (CID 60968665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).