2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide

C11H11Cl2N3O — CID 122583229

IUPAC2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
SMILESCC(C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H11Cl2N3O/c1-11(2,5-14)16-10(17)7-3-6(12)4-8(13)9(7)15/h3-4H,15H2,1-2H3,(H,16,17)
InChIKeyXNIVFVUARXRUHU-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.61
Rot. Bonds2

About 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide

2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide (PubChem CID 122583229) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
PubChem CID122583229
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
SMILESCC(C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H11Cl2N3O/c1-11(2,5-14)16-10(17)7-3-6(12)4-8(13)9(7)15/h3-4H,15H2,1-2H3,(H,16,17)
InChIKeyXNIVFVUARXRUHU-UHFFFAOYSA-N
XLogP2.61
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
N-[2,4-dichloro-6-(2-cyanopropan-2-ylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 90177496
2-chloro-N-(2-cyanopropan-2-yl)-4-nitrobenzamide
CID 520009
2-amino-3,5-dichlorobenzenecarbothioamide
CID 5384826
2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
CID 79035909
2-amino-3,5-dichloro-N-(2,6-dimethylphenyl)benzamide
CID 1479317
2-amino-3,5-dichloro-N-methylbenzenecarbothioamide
CID 141324772
2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid
CID 590819
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
2-amino-5-chloro-N-(cyanomethyl)-3-methylbenzamide
CID 150816609
3,4-dichloro-N-(2-cyanopropan-2-yl)-5-nitrobenzamide
CID 103857578
2-amino-3-chloro-5-cyano-N-ethylbenzamide
CID 130154016

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
The IUPAC name of 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide (CID 122583229) is 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
The canonical SMILES for 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide is CC(C)(C#N)NC(=O)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
The InChIKey is XNIVFVUARXRUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-11(2,5-14)16-10(17)7-3-6(12)4-8(13)9(7)15/h3-4H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide?
2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide has a molecular weight of 272.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dichloro-N-(2-cyanopropan-2-yl)benzamide is sourced from PubChem (CID 122583229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).