3-amino-4-(4-fluoro-3-methylanilino)benzamide

C14H14FN3O — CID 55119022

IUPAC3-amino-4-(4-fluoro-3-methylanilino)benzamide
SMILESCc1cc(Nc2ccc(C(N)=O)cc2N)ccc1F
InChIInChI=1S/C14H14FN3O/c1-8-6-10(3-4-11(8)15)18-13-5-2-9(14(17)19)7-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyBFKYSQFYHLXOGI-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-4-(4-fluoro-3-methylanilino)benzamide

3-amino-4-(4-fluoro-3-methylanilino)benzamide (PubChem CID 55119022) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-amino-4-(4-fluoro-3-methylanilino)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-fluoro-3-methylanilino)benzamide
PubChem CID55119022
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-amino-4-(4-fluoro-3-methylanilino)benzamide
SMILESCc1cc(Nc2ccc(C(N)=O)cc2N)ccc1F
InChIInChI=1S/C14H14FN3O/c1-8-6-10(3-4-11(8)15)18-13-5-2-9(14(17)19)7-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19)
InChIKeyBFKYSQFYHLXOGI-UHFFFAOYSA-N
XLogP2.56
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.56
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

2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
3-amino-4-(2,3,4-trifluoroanilino)benzamide
CID 43448405
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
3-amino-4-(3,4-difluoroanilino)-N,N-dimethylbenzamide
CID 82991008
3-amino-4-(3-fluoro-2-methylanilino)benzamide
CID 55031084
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
CID 82988904
1-[2-amino-5-(4-fluoro-3-methylanilino)phenyl]ethanone
CID 104612747
3-amino-4-[3-(trifluoromethyl)anilino]benzamide
CID 43448394
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
4-bromo-5-fluoro-1-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 66111335
4-chloro-2-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 113315750
3-amino-4-(2,5-dichloroanilino)benzamide
CID 43448380

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-fluoro-3-methylanilino)benzamide?
The IUPAC name of 3-amino-4-(4-fluoro-3-methylanilino)benzamide (CID 55119022) is 3-amino-4-(4-fluoro-3-methylanilino)benzamide.
What is the SMILES notation for 3-amino-4-(4-fluoro-3-methylanilino)benzamide?
The canonical SMILES for 3-amino-4-(4-fluoro-3-methylanilino)benzamide is Cc1cc(Nc2ccc(C(N)=O)cc2N)ccc1F.
What is the InChIKey of 3-amino-4-(4-fluoro-3-methylanilino)benzamide?
The InChIKey is BFKYSQFYHLXOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-6-10(3-4-11(8)15)18-13-5-2-9(14(17)19)7-12(13)16/h2-7,18H,16H2,1H3,(H2,17,19).
What are the key properties of 3-amino-4-(4-fluoro-3-methylanilino)benzamide?
3-amino-4-(4-fluoro-3-methylanilino)benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-fluoro-3-methylanilino)benzamide is sourced from PubChem (CID 55119022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).