3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide

C15H16FN3O — CID 82988834

IUPAC3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C15H16FN3O/c1-18-15(20)11-4-7-14(13(17)8-11)19-9-10-2-5-12(16)6-3-10/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyKFUWINCQTCNNMF-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide

3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide (PubChem CID 82988834) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
PubChem CID82988834
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C15H16FN3O/c1-18-15(20)11-4-7-14(13(17)8-11)19-9-10-2-5-12(16)6-3-10/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyKFUWINCQTCNNMF-UHFFFAOYSA-N
XLogP2.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.38
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-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
methyl 3-amino-4-[(4-fluorophenyl)methylamino]benzoate
CID 46344411
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
3-amino-4-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 82070222
3-amino-N-methyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 106379388
1-[3-amino-4-[(4-methylphenyl)methylamino]phenyl]ethanone
CID 82482011
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
CID 82989252
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
CID 107634382
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
4-[(2-fluoroanilino)methyl]-N-methylbenzamide
CID 54888541
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide (CID 82988834) is 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCc2ccc(F)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide?
The InChIKey is KFUWINCQTCNNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-18-15(20)11-4-7-14(13(17)8-11)19-9-10-2-5-12(16)6-3-10/h2-8,19H,9,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide?
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 82988834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).