N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide

C13H9Cl2FN2O — CID 82875366

IUPACN-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
SMILESNc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-3-2-8(6-12(9)17)18-13(19)7-1-4-11(16)10(15)5-7/h1-6H,17H2,(H,18,19)
InChIKeyUMJQDEDIWPEUFG-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.97
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide

N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide (PubChem CID 82875366) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
PubChem CID82875366
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC NameN-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
SMILESNc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-3-2-8(6-12(9)17)18-13(19)7-1-4-11(16)10(15)5-7/h1-6H,17H2,(H,18,19)
InChIKeyUMJQDEDIWPEUFG-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide (CID 82875366) is N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide is Nc1cc(NC(=O)c2ccc(F)c(Cl)c2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide?
The InChIKey is UMJQDEDIWPEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-9-3-2-8(6-12(9)17)18-13(19)7-1-4-11(16)10(15)5-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide?
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide has a molecular weight of 299.13 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide is sourced from PubChem (CID 82875366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).