5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide

C14H10Cl2F2N2O — CID 107186123

IUPAC5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
SMILESCc1cc(F)c(NC(=O)c2cc(N)cc(Cl)c2Cl)cc1F
InChIInChI=1S/C14H10Cl2F2N2O/c1-6-2-11(18)12(5-10(6)17)20-14(21)8-3-7(19)4-9(15)13(8)16/h2-5H,19H2,1H3,(H,20,21)
InChIKeyHRIFFFZKUJDRNO-UHFFFAOYSA-N
MW331.15 g/mol
LogP4.41
Rot. Bonds2

About 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide

5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide (PubChem CID 107186123) has the molecular formula C14H10Cl2F2N2O and a molecular weight of 331.15 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
PubChem CID107186123
Molecular FormulaC14H10Cl2F2N2O
Molecular Weight331.15 g/mol
Exact Mass330.01
IUPAC Name5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide
SMILESCc1cc(F)c(NC(=O)c2cc(N)cc(Cl)c2Cl)cc1F
InChIInChI=1S/C14H10Cl2F2N2O/c1-6-2-11(18)12(5-10(6)17)20-14(21)8-3-7(19)4-9(15)13(8)16/h2-5H,19H2,1H3,(H,20,21)
InChIKeyHRIFFFZKUJDRNO-UHFFFAOYSA-N
XLogP4.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)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

5-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-2,3-dichlorobenzamide
CID 107185996
5-amino-2,3-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 107183212
5-amino-2,3-dichloro-N-(4-fluoro-2-methylphenyl)benzamide
CID 107183229
2-amino-3-chloro-N-(2,5-difluoro-4-methylphenyl)benzamide
CID 103584339
5-amino-2,3-dichloro-N-(2,3-difluorophenyl)benzamide
CID 107183805
5-amino-2,3-dichloro-N-(2-chloro-5-methylphenyl)benzamide
CID 107624082
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
CID 107037172
3-amino-N-(2,5-difluoro-4-methylphenyl)-5-methylbenzamide
CID 103584318
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106687388
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
CID 107185608
5-amino-N-(4-bromo-3-methylphenyl)-2,3-dichlorobenzamide
CID 107183354

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide (CID 107186123) is 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide is Cc1cc(F)c(NC(=O)c2cc(N)cc(Cl)c2Cl)cc1F.
What is the InChIKey of 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide?
The InChIKey is HRIFFFZKUJDRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O/c1-6-2-11(18)12(5-10(6)17)20-14(21)8-3-7(19)4-9(15)13(8)16/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide?
5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide has a molecular weight of 331.15 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(2,5-difluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 107186123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).