4-[(3,4-dichloroanilino)methyl]benzamide

C14H12Cl2N2O — CID 28577960

IUPAC4-[(3,4-dichloroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-6-5-11(7-13(12)16)18-8-9-1-3-10(4-2-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyXFOCQKHGFPVYHM-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.70
Rot. Bonds4

About 4-[(3,4-dichloroanilino)methyl]benzamide

4-[(3,4-dichloroanilino)methyl]benzamide (PubChem CID 28577960) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-[(3,4-dichloroanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dichloroanilino)methyl]benzamide
PubChem CID28577960
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name4-[(3,4-dichloroanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O/c15-12-6-5-11(7-13(12)16)18-8-9-1-3-10(4-2-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyXFOCQKHGFPVYHM-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,4-dichloroanilino)methyl]benzoic acid
CID 62216410
4-[(3-chloro-4-imidazol-1-ylanilino)methyl]benzamide
CID 166229117
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[(3-methylanilino)methyl]benzamide
CID 28564307
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
CID 43744497
4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
CID 75446192
4-[(3-chloro-4-hydroxyanilino)methyl]benzoic acid
CID 107678285
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
4-[(3-ethynylanilino)methyl]benzamide
CID 28564163
4-[(3-sulfamoylanilino)methyl]benzamide
CID 43761254
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichloroanilino)methyl]benzamide?
The IUPAC name of 4-[(3,4-dichloroanilino)methyl]benzamide (CID 28577960) is 4-[(3,4-dichloroanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3,4-dichloroanilino)methyl]benzamide?
The canonical SMILES for 4-[(3,4-dichloroanilino)methyl]benzamide is NC(=O)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3,4-dichloroanilino)methyl]benzamide?
The InChIKey is XFOCQKHGFPVYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c15-12-6-5-11(7-13(12)16)18-8-9-1-3-10(4-2-9)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 4-[(3,4-dichloroanilino)methyl]benzamide?
4-[(3,4-dichloroanilino)methyl]benzamide has a molecular weight of 295.17 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichloroanilino)methyl]benzamide is sourced from PubChem (CID 28577960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).