3-[(3-chloro-2-fluorophenyl)methylamino]benzamide

C14H12ClFN2O — CID 115743478

IUPAC3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H12ClFN2O/c15-12-6-2-4-10(13(12)16)8-18-11-5-1-3-9(7-11)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyJNCSCVYECKBUPJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.19
Rot. Bonds4

About 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide

3-[(3-chloro-2-fluorophenyl)methylamino]benzamide (PubChem CID 115743478) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
PubChem CID115743478
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-[(3-chloro-2-fluorophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H12ClFN2O/c15-12-6-2-4-10(13(12)16)8-18-11-5-1-3-9(7-11)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyJNCSCVYECKBUPJ-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471
3-[(2,3,6-trichlorophenyl)methylamino]benzamide
CID 43767611
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide (CID 115743478) is 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide is NC(=O)c1cccc(NCc2cccc(Cl)c2F)c1.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide?
The InChIKey is JNCSCVYECKBUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-6-2-4-10(13(12)16)8-18-11-5-1-3-9(7-11)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide?
3-[(3-chloro-2-fluorophenyl)methylamino]benzamide has a molecular weight of 278.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methylamino]benzamide is sourced from PubChem (CID 115743478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).