3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide

C15H13ClF2N2O2 — CID 71913606

IUPAC3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClF2N2O2/c16-12-6-9(4-5-13(12)22-15(17)18)8-20-11-3-1-2-10(7-11)14(19)21/h1-7,15,20H,8H2,(H2,19,21)
InChIKeyFNGBLUUWKZSWNJ-UHFFFAOYSA-N
MW326.73 g/mol
LogP3.65
Rot. Bonds6

About 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide

3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide (PubChem CID 71913606) has the molecular formula C15H13ClF2N2O2 and a molecular weight of 326.73 g/mol. Its IUPAC name is 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide
PubChem CID71913606
Molecular FormulaC15H13ClF2N2O2
Molecular Weight326.73 g/mol
Exact Mass326.06
IUPAC Name3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClF2N2O2/c16-12-6-9(4-5-13(12)22-15(17)18)8-20-11-3-1-2-10(7-11)14(19)21/h1-7,15,20H,8H2,(H2,19,21)
InChIKeyFNGBLUUWKZSWNJ-UHFFFAOYSA-N
XLogP3.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 28555690
3-chloro-4-(difluoromethoxy)-N-[(3-fluorophenyl)methyl]aniline
CID 28553815
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
3-(carbamoylamino)-N-[3-chloro-4-(difluoromethoxy)phenyl]benzamide
CID 26247982
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
N-[(3-chloro-4-fluorophenyl)methyl]-3-(difluoromethoxy)aniline
CID 81145113
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]benzamide
CID 65022398
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
3-chloro-4-(difluoromethoxy)-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120551
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
CID 28650742

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide?
The IUPAC name of 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide (CID 71913606) is 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide.
What is the SMILES notation for 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide?
The canonical SMILES for 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide is NC(=O)c1cccc(NCc2ccc(OC(F)F)c(Cl)c2)c1.
What is the InChIKey of 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide?
The InChIKey is FNGBLUUWKZSWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O2/c16-12-6-9(4-5-13(12)22-15(17)18)8-20-11-3-1-2-10(7-11)14(19)21/h1-7,15,20H,8H2,(H2,19,21).
What are the key properties of 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide?
3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide has a molecular weight of 326.73 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-4-(difluoromethoxy)phenyl]methylamino]benzamide is sourced from PubChem (CID 71913606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).