3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide

C14H12F2N2O — CID 43436899

IUPAC3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESNc1cc(C(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H12F2N2O/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-12(16)13(17)7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyKDBHVDOALJQHRW-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide

3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 43436899) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID43436899
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESNc1cc(C(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H12F2N2O/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-12(16)13(17)7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyKDBHVDOALJQHRW-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
3-amino-N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropan-2-yl)benzamide;ethane
CID 171537977
3-acetyl-4-amino-N-[(4-fluorophenyl)methyl]benzamide
CID 171538005
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
4-amino-N-[(4-fluorophenyl)methyl]-3-prop-2-enoxybenzamide
CID 82069780
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 43436899) is 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide is Nc1cc(C(=O)NCc2ccc(F)cc2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is KDBHVDOALJQHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-4-1-9(2-5-11)8-18-14(19)10-3-6-12(16)13(17)7-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 262.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 43436899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).