N-(3,5-dichloro-4-cyanophenyl)acetamide

C9H6Cl2N2O — CID 134176863

IUPACN-(3,5-dichloro-4-cyanophenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(C#N)c(Cl)c1
InChIInChI=1S/C9H6Cl2N2O/c1-5(14)13-6-2-8(10)7(4-12)9(11)3-6/h2-3H,1H3,(H,13,14)
InChIKeyOABZMIRJEYDEFS-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.82
Rot. Bonds1

About N-(3,5-dichloro-4-cyanophenyl)acetamide

N-(3,5-dichloro-4-cyanophenyl)acetamide (PubChem CID 134176863) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is N-(3,5-dichloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-cyanophenyl)acetamide
PubChem CID134176863
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC NameN-(3,5-dichloro-4-cyanophenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(C#N)c(Cl)c1
InChIInChI=1S/C9H6Cl2N2O/c1-5(14)13-6-2-8(10)7(4-12)9(11)3-6/h2-3H,1H3,(H,13,14)
InChIKeyOABZMIRJEYDEFS-UHFFFAOYSA-N
XLogP2.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyano-3,5-dimethylphenyl)acetamide
CID 171976448
N-(3,5-dichloro-4-iodophenyl)acetamide
CID 156599788
N-(4-cyano-3-fluoro-5-methylphenyl)acetamide
CID 127264492
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
2,6-dichloro-4-(2-methylprop-1-enyl)benzonitrile
CID 167443748
N-(3-amino-5-chloro-4-hydroxyphenyl)acetamide
CID 70464969
4-acetyl-2-chloro-6-methylbenzonitrile
CID 171003683
N-(3,4-dicyanophenyl)acetamide
CID 12938829
3,5-diacetamido-N-(3,4-dichlorophenyl)benzamide
CID 2524728
5-acetamido-2-amino-3-chlorobenzenesulfonic acid
CID 101429249
N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 3681373
N-(2-cyano-1,3-benzothiazol-6-yl)acetamide
CID 45077726

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-cyanophenyl)acetamide?
The IUPAC name of N-(3,5-dichloro-4-cyanophenyl)acetamide (CID 134176863) is N-(3,5-dichloro-4-cyanophenyl)acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-cyanophenyl)acetamide?
The canonical SMILES for N-(3,5-dichloro-4-cyanophenyl)acetamide is CC(=O)Nc1cc(Cl)c(C#N)c(Cl)c1.
What is the InChIKey of N-(3,5-dichloro-4-cyanophenyl)acetamide?
The InChIKey is OABZMIRJEYDEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c1-5(14)13-6-2-8(10)7(4-12)9(11)3-6/h2-3H,1H3,(H,13,14).
What are the key properties of N-(3,5-dichloro-4-cyanophenyl)acetamide?
N-(3,5-dichloro-4-cyanophenyl)acetamide has a molecular weight of 229.07 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 134176863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).