3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide

C14H11ClF2N2O — CID 114452430

IUPAC3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NCc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H11ClF2N2O/c15-10-3-8(4-11(16)6-10)7-19-13-5-9(14(18)20)1-2-12(13)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyWQHJYDAULQZCLC-UHFFFAOYSA-N
MW296.70 g/mol
LogP3.33
Rot. Bonds4

About 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide

3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide (PubChem CID 114452430) has the molecular formula C14H11ClF2N2O and a molecular weight of 296.70 g/mol. Its IUPAC name is 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
PubChem CID114452430
Molecular FormulaC14H11ClF2N2O
Molecular Weight296.70 g/mol
Exact Mass296.05
IUPAC Name3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NCc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H11ClF2N2O/c15-10-3-8(4-11(16)6-10)7-19-13-5-9(14(18)20)1-2-12(13)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyWQHJYDAULQZCLC-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
4-fluoro-3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43783759
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
methyl 4-chloro-3-[(3-chloro-5-fluorophenyl)methylamino]benzoate
CID 114452449
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025
methyl 3-[(3-chloro-5-fluorophenyl)methylamino]-4-methylbenzoate
CID 114452355
[3-[(3-chloro-5-fluorophenyl)methylamino]phenyl]urea
CID 114452582
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-2-iodoaniline
CID 107632533

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide?
The IUPAC name of 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide (CID 114452430) is 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide.
What is the SMILES notation for 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide?
The canonical SMILES for 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide is NC(=O)c1ccc(F)c(NCc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide?
The InChIKey is WQHJYDAULQZCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O/c15-10-3-8(4-11(16)6-10)7-19-13-5-9(14(18)20)1-2-12(13)17/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide?
3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide has a molecular weight of 296.70 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5-fluorophenyl)methylamino]-4-fluorobenzamide is sourced from PubChem (CID 114452430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).