3-[(4-chloro-3-fluoroanilino)methyl]benzamide

C14H12ClFN2O — CID 61467366

IUPAC3-[(4-chloro-3-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H12ClFN2O/c15-12-5-4-11(7-13(12)16)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyWRQNNKYMJOOVQL-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.19
Rot. Bonds4

About 3-[(4-chloro-3-fluoroanilino)methyl]benzamide

3-[(4-chloro-3-fluoroanilino)methyl]benzamide (PubChem CID 61467366) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-chloro-3-fluoroanilino)methyl]benzamide
PubChem CID61467366
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name3-[(4-chloro-3-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C14H12ClFN2O/c15-12-5-4-11(7-13(12)16)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyWRQNNKYMJOOVQL-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-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
3-[(3-chloro-4-nitroanilino)methyl]benzamide
CID 82863102
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
CID 63277343
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
CID 43426770

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluoroanilino)methyl]benzamide?
The IUPAC name of 3-[(4-chloro-3-fluoroanilino)methyl]benzamide (CID 61467366) is 3-[(4-chloro-3-fluoroanilino)methyl]benzamide.
What is the SMILES notation for 3-[(4-chloro-3-fluoroanilino)methyl]benzamide?
The canonical SMILES for 3-[(4-chloro-3-fluoroanilino)methyl]benzamide is NC(=O)c1cccc(CNc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 3-[(4-chloro-3-fluoroanilino)methyl]benzamide?
The InChIKey is WRQNNKYMJOOVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-12-5-4-11(7-13(12)16)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 3-[(4-chloro-3-fluoroanilino)methyl]benzamide?
3-[(4-chloro-3-fluoroanilino)methyl]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-[(4-chloro-3-fluoroanilino)methyl]benzamide is sourced from PubChem (CID 61467366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).