N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide

C13H9Cl2FN2O — CID 81454097

IUPACN-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
SMILESNc1cc(NC(=O)c2cccc(F)c2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(16)12(8)15/h1-6H,17H2,(H,18,19)
InChIKeyNFPCRVXXCZQYMT-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.97
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide

N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide (PubChem CID 81454097) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
PubChem CID81454097
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC NameN-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
SMILESNc1cc(NC(=O)c2cccc(F)c2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(16)12(8)15/h1-6H,17H2,(H,18,19)
InChIKeyNFPCRVXXCZQYMT-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-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
3-amino-N-(3-bromo-4-chlorophenyl)-2-chlorobenzamide
CID 112576057
N-(4-amino-3-chlorophenyl)-2-bromo-3-fluorobenzamide
CID 82861957
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
N-(3,4-dichlorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660094
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
CID 81454782

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide (CID 81454097) is N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide is Nc1cc(NC(=O)c2cccc(F)c2Cl)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide?
The InChIKey is NFPCRVXXCZQYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-9-5-4-7(6-11(9)17)18-13(19)8-2-1-3-10(16)12(8)15/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide?
N-(3-amino-4-chlorophenyl)-2-chloro-3-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)-2-chloro-3-fluorobenzamide is sourced from PubChem (CID 81454097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).