3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

C16H14Cl3NO — CID 43470617

IUPAC3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO/c1-10(12-5-6-14(18)15(19)8-12)20-16(21)13-4-2-3-11(7-13)9-17/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyXSBNNSISSXJAPO-UHFFFAOYSA-N
MW342.65 g/mol
LogP5.22
Rot. Bonds4

About 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (PubChem CID 43470617) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
PubChem CID43470617
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC Name3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO/c1-10(12-5-6-14(18)15(19)8-12)20-16(21)13-4-2-3-11(7-13)9-17/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyXSBNNSISSXJAPO-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.65
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
3-(chloromethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 81403974
3-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 35905657
3-(chloromethyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408549
3-[[1-(3,4-dichlorophenyl)ethylcarbamoylamino]methyl]benzamide
CID 134006547
3-(chloromethyl)-N-pentan-2-ylbenzamide
CID 43156329
3-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)benzamide
CID 104827955
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
3-(chloromethyl)-N-(2-methyl-1-phenylpropyl)benzamide
CID 43346663
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114326268
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
3-(chloromethyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 43578897

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (CID 43470617) is 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1cccc(CCl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is XSBNNSISSXJAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c1-10(12-5-6-14(18)15(19)8-12)20-16(21)13-4-2-3-11(7-13)9-17/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 342.65 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 43470617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).