3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide

C16H16Cl2N2O — CID 102664284

IUPAC3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-4-6-14(17)7-5-11)20-9-13-3-2-12(16(19)21)8-15(13)18/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyGYRROSFNLTTXAX-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.94
Rot. Bonds5

About 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide

3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide (PubChem CID 102664284) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
PubChem CID102664284
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
SMILESCC(NCc1ccc(C(N)=O)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-10(11-4-6-14(17)7-5-11)20-9-13-3-2-12(16(19)21)8-15(13)18/h2-8,10,20H,9H2,1H3,(H2,19,21)
InChIKeyGYRROSFNLTTXAX-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81348792
4-[(but-3-en-2-ylamino)methyl]-3-chlorobenzamide
CID 102665091
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
CID 102665133
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
CID 102665041
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
3-chloro-N'-hydroxy-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]benzenecarboximidamide
CID 102667374
3-chloro-4-[[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 102665012
N-[(2-chloro-4-methylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 106862514
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide (CID 102664284) is 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide is CC(NCc1ccc(C(N)=O)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide?
The InChIKey is GYRROSFNLTTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10(11-4-6-14(17)7-5-11)20-9-13-3-2-12(16(19)21)8-15(13)18/h2-8,10,20H,9H2,1H3,(H2,19,21).
What are the key properties of 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide?
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide has a molecular weight of 323.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide is sourced from PubChem (CID 102664284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).