4-(5-amino-2-chloroanilino)-3-fluorobenzamide

C13H11ClFN3O — CID 54903363

IUPAC4-(5-amino-2-chloroanilino)-3-fluorobenzamide
SMILESNC(=O)c1ccc(Nc2cc(N)ccc2Cl)c(F)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-3-2-8(16)6-12(9)18-11-4-1-7(13(17)19)5-10(11)15/h1-6,18H,16H2,(H2,17,19)
InChIKeyDHZDRYZDFLUTLQ-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.90
Rot. Bonds3

About 4-(5-amino-2-chloroanilino)-3-fluorobenzamide

4-(5-amino-2-chloroanilino)-3-fluorobenzamide (PubChem CID 54903363) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 4-(5-amino-2-chloroanilino)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(5-amino-2-chloroanilino)-3-fluorobenzamide
PubChem CID54903363
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name4-(5-amino-2-chloroanilino)-3-fluorobenzamide
SMILESNC(=O)c1ccc(Nc2cc(N)ccc2Cl)c(F)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-3-2-8(16)6-12(9)18-11-4-1-7(13(17)19)5-10(11)15/h1-6,18H,16H2,(H2,17,19)
InChIKeyDHZDRYZDFLUTLQ-UHFFFAOYSA-N
XLogP2.90
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2,5-dichloroanilino)benzamide
CID 43448380
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
4-(2,4-dichloroanilino)-3-fluorobenzenecarbothioamide
CID 43657727
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
1-N-(2-chloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29080215
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
4-(5-amino-2-chloroanilino)-2-chlorobenzamide
CID 62944720
4-(2-chloroanilino)-3-fluorobenzenecarbothioamide
CID 43657796
5-amino-2-(2-chloro-4-fluoroanilino)benzamide
CID 61312450
2-(5-amino-2-chloroanilino)-5-nitrobenzamide
CID 61014850
4-(2,5-dichloro-4-methylanilino)-3-fluorobenzenecarbothioamide
CID 104727259

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-chloroanilino)-3-fluorobenzamide?
The IUPAC name of 4-(5-amino-2-chloroanilino)-3-fluorobenzamide (CID 54903363) is 4-(5-amino-2-chloroanilino)-3-fluorobenzamide.
What is the SMILES notation for 4-(5-amino-2-chloroanilino)-3-fluorobenzamide?
The canonical SMILES for 4-(5-amino-2-chloroanilino)-3-fluorobenzamide is NC(=O)c1ccc(Nc2cc(N)ccc2Cl)c(F)c1.
What is the InChIKey of 4-(5-amino-2-chloroanilino)-3-fluorobenzamide?
The InChIKey is DHZDRYZDFLUTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-3-2-8(16)6-12(9)18-11-4-1-7(13(17)19)5-10(11)15/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 4-(5-amino-2-chloroanilino)-3-fluorobenzamide?
4-(5-amino-2-chloroanilino)-3-fluorobenzamide has a molecular weight of 279.70 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-chloroanilino)-3-fluorobenzamide is sourced from PubChem (CID 54903363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).