2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide

C16H15Cl2NO — CID 106863896

IUPAC2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CCl)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-7-8-13(14(18)9-11)16(20)19-15(10-17)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,20)
InChIKeyASNAZTRSZYLOHT-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.36
Rot. Bonds4

About 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide

2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide (PubChem CID 106863896) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
PubChem CID106863896
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CCl)c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-7-8-13(14(18)9-11)16(20)19-15(10-17)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,20)
InChIKeyASNAZTRSZYLOHT-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.36
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-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
2-chloro-N-(1-chloro-3-methylbutan-2-yl)-4-methylbenzamide
CID 106863924
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
2-chloro-N-(4-chlorobutan-2-yl)-4-methylbenzamide
CID 106863994
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
3-[(2-chloro-4-fluorobenzoyl)amino]-3-phenylpropanoic acid
CID 16771773
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide (CID 106863896) is 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide is Cc1ccc(C(=O)NC(CCl)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide?
The InChIKey is ASNAZTRSZYLOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11-7-8-13(14(18)9-11)16(20)19-15(10-17)12-5-3-2-4-6-12/h2-9,15H,10H2,1H3,(H,19,20).
What are the key properties of 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide?
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide has a molecular weight of 308.21 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide is sourced from PubChem (CID 106863896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).