4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide

C14H11Cl2FN2O — CID 28556485

IUPAC4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CNc2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-10-4-11(16)6-12(5-10)19-7-9-2-1-8(14(18)20)3-13(9)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyWYTMMHCJVBKPBJ-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.84
Rot. Bonds4

About 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide

4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide (PubChem CID 28556485) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
PubChem CID28556485
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CNc2cc(Cl)cc(Cl)c2)c(F)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-10-4-11(16)6-12(5-10)19-7-9-2-1-8(14(18)20)3-13(9)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyWYTMMHCJVBKPBJ-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
CID 107621511
4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
CID 63333639
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
CID 115743478

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide (CID 28556485) is 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide is NC(=O)c1ccc(CNc2cc(Cl)cc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide?
The InChIKey is WYTMMHCJVBKPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-10-4-11(16)6-12(5-10)19-7-9-2-1-8(14(18)20)3-13(9)17/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide?
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide has a molecular weight of 313.16 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 28556485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).