4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide

C14H13F2N3O — CID 63356572

IUPAC4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(N)c(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2N3O/c15-10-3-1-9(11(16)6-10)7-19-13-5-8(14(18)20)2-4-12(13)17/h1-6,19H,7,17H2,(H2,18,20)
InChIKeyYVYGUMJRXVWOOI-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.26
Rot. Bonds4

About 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide

4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide (PubChem CID 63356572) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
PubChem CID63356572
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(N)c(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C14H13F2N3O/c15-10-3-1-9(11(16)6-10)7-19-13-5-8(14(18)20)2-4-12(13)17/h1-6,19H,7,17H2,(H2,18,20)
InChIKeyYVYGUMJRXVWOOI-UHFFFAOYSA-N
XLogP2.26
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.26
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-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
3-[(2-amino-5-fluoroanilino)methyl]benzamide
CID 123298867
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
2-N-[2-(2,4-difluorophenyl)ethyl]-4-fluorobenzene-1,2-diamine
CID 115124195

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide?
The IUPAC name of 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide (CID 63356572) is 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide.
What is the SMILES notation for 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide?
The canonical SMILES for 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide is NC(=O)c1ccc(N)c(NCc2ccc(F)cc2F)c1.
What is the InChIKey of 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide?
The InChIKey is YVYGUMJRXVWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-10-3-1-9(11(16)6-10)7-19-13-5-8(14(18)20)2-4-12(13)17/h1-6,19H,7,17H2,(H2,18,20).
What are the key properties of 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide?
4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide is sourced from PubChem (CID 63356572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).