4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide

C17H17Cl2NO — CID 60948899

IUPAC4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-12(15-5-3-4-6-16(15)19)20(2)17(21)14-9-7-13(11-18)8-10-14/h3-10,12H,11H2,1-2H3
InChIKeyGYYQMVFPTADSHO-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.91
Rot. Bonds4

About 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide

4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide (PubChem CID 60948899) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
PubChem CID60948899
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-12(15-5-3-4-6-16(15)19)20(2)17(21)14-9-7-13(11-18)8-10-14/h3-10,12H,11H2,1-2H3
InChIKeyGYYQMVFPTADSHO-UHFFFAOYSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
N-[1-(2-chlorophenyl)ethyl]-4-hydrazinyl-N-methylbenzamide
CID 62978074
4-(chloromethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81377370
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
4-[3-[1-(2-chlorophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119180616
3-amino-4-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 61105778
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid
CID 146137098
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide (CID 60948899) is 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1Cl)N(C)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
The InChIKey is GYYQMVFPTADSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12(15-5-3-4-6-16(15)19)20(2)17(21)14-9-7-13(11-18)8-10-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide?
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide has a molecular weight of 322.24 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 60948899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).