3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide

C13H9Cl2FN2O — CID 107526592

IUPAC3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-3-1-7(5-11(9)17)13(19)18-12-6-8(16)2-4-10(12)15/h1-6H,17H2,(H,18,19)
InChIKeyWZAZYXBSLAEWPO-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.97
Rot. Bonds2

About 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide

3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide (PubChem CID 107526592) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
PubChem CID107526592
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-9-3-1-7(5-11(9)17)13(19)18-12-6-8(16)2-4-10(12)15/h1-6H,17H2,(H,18,19)
InChIKeyWZAZYXBSLAEWPO-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

2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 103873201
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
3-amino-N-(2-chloro-5-fluorophenyl)-5-methoxybenzamide
CID 107526613
3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide (CID 107526592) is 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide is Nc1cc(C(=O)Nc2cc(F)ccc2Cl)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide?
The InChIKey is WZAZYXBSLAEWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-9-3-1-7(5-11(9)17)13(19)18-12-6-8(16)2-4-10(12)15/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide?
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide 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 3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide is sourced from PubChem (CID 107526592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).