3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide

C15H14F2N2O — CID 62810109

IUPAC3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2F)ccc1F
InChIInChI=1S/C15H14F2N2O/c1-9-6-12(4-5-13(9)16)19-8-11-3-2-10(15(18)20)7-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyKDSMQSIHGKSPOR-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.98
Rot. Bonds4

About 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide

3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide (PubChem CID 62810109) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
PubChem CID62810109
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2F)ccc1F
InChIInChI=1S/C15H14F2N2O/c1-9-6-12(4-5-13(9)16)19-8-11-3-2-10(15(18)20)7-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyKDSMQSIHGKSPOR-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
CID 63333639
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
CID 107621511
3-bromo-4-[(4-fluoro-3-methylanilino)methyl]benzoic acid
CID 103249428
N-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55194295
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
3-chloro-4-[(4-fluoro-3-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667127
2-[2-[(4-fluoro-3-methylanilino)methyl]phenyl]acetic acid
CID 115461942
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide (CID 62810109) is 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide is Cc1cc(NCc2ccc(C(N)=O)cc2F)ccc1F.
What is the InChIKey of 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide?
The InChIKey is KDSMQSIHGKSPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9-6-12(4-5-13(9)16)19-8-11-3-2-10(15(18)20)7-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide?
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide has a molecular weight of 276.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide is sourced from PubChem (CID 62810109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).