2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide

C14H13ClFN3O2 — CID 107622922

IUPAC2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide
SMILESCOc1cc(Nc2cc(C(N)=O)c(N)cc2F)ccc1Cl
InChIInChI=1S/C14H13ClFN3O2/c1-21-13-4-7(2-3-9(13)15)19-12-5-8(14(18)20)11(17)6-10(12)16/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyLQYWFXOWQLUSED-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.91
Rot. Bonds4

About 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide

2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide (PubChem CID 107622922) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide
PubChem CID107622922
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide
SMILESCOc1cc(Nc2cc(C(N)=O)c(N)cc2F)ccc1Cl
InChIInChI=1S/C14H13ClFN3O2/c1-21-13-4-7(2-3-9(13)15)19-12-5-8(14(18)20)11(17)6-10(12)16/h2-6,19H,17H2,1H3,(H2,18,20)
InChIKeyLQYWFXOWQLUSED-UHFFFAOYSA-N
XLogP2.91
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258678
methyl 2-amino-5-(2,5-dichloroanilino)-4-fluorobenzoate
CID 63422352
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
methyl 4-amino-3-(4-chloro-3-methoxyanilino)benzoate
CID 107622924
methyl 2-amino-5-(3,5-dichloroanilino)-4-fluorobenzoate
CID 63425376
2-amino-5-[4-(cyanomethyl)anilino]-4-fluorobenzamide
CID 62303049
2-amino-5-(2-chloro-4-cyanoanilino)-4-fluorobenzamide
CID 107809746
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
4-chloro-5-fluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,2-diamine
CID 114837240
methyl 2-amino-5-(2-chloro-4-iodoanilino)-4-fluorobenzoate
CID 107607620
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide?
The IUPAC name of 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide (CID 107622922) is 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide?
The canonical SMILES for 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide is COc1cc(Nc2cc(C(N)=O)c(N)cc2F)ccc1Cl.
What is the InChIKey of 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide?
The InChIKey is LQYWFXOWQLUSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-21-13-4-7(2-3-9(13)15)19-12-5-8(14(18)20)11(17)6-10(12)16/h2-6,19H,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide?
2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide has a molecular weight of 309.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chloro-3-methoxyanilino)-4-fluorobenzamide is sourced from PubChem (CID 107622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).