2-amino-3-(4-chloro-2-fluoroanilino)benzamide

C13H11ClFN3O — CID 113332736

IUPAC2-amino-3-(4-chloro-2-fluoroanilino)benzamide
SMILESNC(=O)c1cccc(Nc2ccc(Cl)cc2F)c1N
InChIInChI=1S/C13H11ClFN3O/c14-7-4-5-10(9(15)6-7)18-11-3-1-2-8(12(11)16)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyDWUBJDPQEBNDPH-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.90
Rot. Bonds3

About 2-amino-3-(4-chloro-2-fluoroanilino)benzamide

2-amino-3-(4-chloro-2-fluoroanilino)benzamide (PubChem CID 113332736) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 2-amino-3-(4-chloro-2-fluoroanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(4-chloro-2-fluoroanilino)benzamide
PubChem CID113332736
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name2-amino-3-(4-chloro-2-fluoroanilino)benzamide
SMILESNC(=O)c1cccc(Nc2ccc(Cl)cc2F)c1N
InChIInChI=1S/C13H11ClFN3O/c14-7-4-5-10(9(15)6-7)18-11-3-1-2-8(12(11)16)13(17)19/h1-6,18H,16H2,(H2,17,19)
InChIKeyDWUBJDPQEBNDPH-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

methyl 2-amino-3-(4-chloro-2-fluoroanilino)benzoate
CID 115545244
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
2-amino-3-(5-bromo-2-chloroanilino)benzamide
CID 113332933
2-amino-3-(2-cyano-4-fluoroanilino)benzamide
CID 82684668
methyl 2-amino-3-(2,4-dichloroanilino)benzoate
CID 115544295
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-(4-ethynyl-2-fluoroanilino)benzamide
CID 140561717
methyl 2-amino-3-(2-bromo-4-chloroanilino)benzoate
CID 115546690
4-(4-chloro-2-fluoroanilino)-2,3-difluorobenzenecarbothioamide
CID 107934681
2-amino-3-(2-ethylanilino)benzamide
CID 113332482

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chloro-2-fluoroanilino)benzamide?
The IUPAC name of 2-amino-3-(4-chloro-2-fluoroanilino)benzamide (CID 113332736) is 2-amino-3-(4-chloro-2-fluoroanilino)benzamide.
What is the SMILES notation for 2-amino-3-(4-chloro-2-fluoroanilino)benzamide?
The canonical SMILES for 2-amino-3-(4-chloro-2-fluoroanilino)benzamide is NC(=O)c1cccc(Nc2ccc(Cl)cc2F)c1N.
What is the InChIKey of 2-amino-3-(4-chloro-2-fluoroanilino)benzamide?
The InChIKey is DWUBJDPQEBNDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-7-4-5-10(9(15)6-7)18-11-3-1-2-8(12(11)16)13(17)19/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 2-amino-3-(4-chloro-2-fluoroanilino)benzamide?
2-amino-3-(4-chloro-2-fluoroanilino)benzamide 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 2-amino-3-(4-chloro-2-fluoroanilino)benzamide is sourced from PubChem (CID 113332736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).