4-[(2-chloroanilino)methyl]-3-fluorobenzamide

C14H12ClFN2O — CID 28581400

IUPAC4-[(2-chloroanilino)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CNc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2O/c15-11-3-1-2-4-13(11)18-8-10-6-5-9(14(17)19)7-12(10)16/h1-7,18H,8H2,(H2,17,19)
InChIKeyBWULWGNHMVCESW-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.19
Rot. Bonds4

About 4-[(2-chloroanilino)methyl]-3-fluorobenzamide

4-[(2-chloroanilino)methyl]-3-fluorobenzamide (PubChem CID 28581400) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 4-[(2-chloroanilino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-chloroanilino)methyl]-3-fluorobenzamide
PubChem CID28581400
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name4-[(2-chloroanilino)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CNc2ccccc2Cl)c(F)c1
InChIInChI=1S/C14H12ClFN2O/c15-11-3-1-2-4-13(11)18-8-10-6-5-9(14(17)19)7-12(10)16/h1-7,18H,8H2,(H2,17,19)
InChIKeyBWULWGNHMVCESW-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

4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
4-chloro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951120
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393
4-chloro-3-[(2,3-dichlorophenyl)methylamino]benzamide
CID 43679408
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
CID 63356572

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroanilino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(2-chloroanilino)methyl]-3-fluorobenzamide (CID 28581400) is 4-[(2-chloroanilino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-chloroanilino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-chloroanilino)methyl]-3-fluorobenzamide is NC(=O)c1ccc(CNc2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2-chloroanilino)methyl]-3-fluorobenzamide?
The InChIKey is BWULWGNHMVCESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-11-3-1-2-4-13(11)18-8-10-6-5-9(14(17)19)7-12(10)16/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 4-[(2-chloroanilino)methyl]-3-fluorobenzamide?
4-[(2-chloroanilino)methyl]-3-fluorobenzamide 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 4-[(2-chloroanilino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 28581400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).