3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide

C14H11Cl2FN2O — CID 83077384

IUPAC3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-11-5-10(17)6-12(16)13(11)19-7-8-2-1-3-9(4-8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyXZWNGGXAJCXUNA-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.84
Rot. Bonds4

About 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide

3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide (PubChem CID 83077384) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
PubChem CID83077384
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2c(Cl)cc(F)cc2Cl)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-11-5-10(17)6-12(16)13(11)19-7-8-2-1-3-9(4-8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyXZWNGGXAJCXUNA-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
3-[(2,4,6-trichloroanilino)methyl]benzoic acid
CID 103236893
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]methyl]benzamide
CID 32636811
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
3-[(2-amino-5-fluoroanilino)methyl]benzamide
CID 123298867
3-[[(2-chloro-6-fluorophenyl)methylamino]methyl]benzamide
CID 43426770
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-(chloromethyl)-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 83078751

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide?
The IUPAC name of 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide (CID 83077384) is 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide.
What is the SMILES notation for 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide?
The canonical SMILES for 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide is NC(=O)c1cccc(CNc2c(Cl)cc(F)cc2Cl)c1.
What is the InChIKey of 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide?
The InChIKey is XZWNGGXAJCXUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-11-5-10(17)6-12(16)13(11)19-7-8-2-1-3-9(4-8)14(18)20/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide?
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide has a molecular weight of 313.16 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide is sourced from PubChem (CID 83077384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).