N-(2-chloro-1-phenylethyl)-2-ethylbenzamide

C17H18ClNO — CID 114300081

IUPACN-(2-chloro-1-phenylethyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-2-13-8-6-7-11-15(13)17(20)19-16(12-18)14-9-4-3-5-10-14/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyABMAJRAJACGPAE-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.96
Rot. Bonds5

About N-(2-chloro-1-phenylethyl)-2-ethylbenzamide

N-(2-chloro-1-phenylethyl)-2-ethylbenzamide (PubChem CID 114300081) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2-ethylbenzamide
PubChem CID114300081
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-(2-chloro-1-phenylethyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-2-13-8-6-7-11-15(13)17(20)19-16(12-18)14-9-4-3-5-10-14/h3-11,16H,2,12H2,1H3,(H,19,20)
InChIKeyABMAJRAJACGPAE-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.96
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-ethoxybenzamide
CID 114300243
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
N-(4-chlorobutan-2-yl)-2-ethylbenzamide
CID 83179695
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2-ethylbenzamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2-ethylbenzamide (CID 114300081) is N-(2-chloro-1-phenylethyl)-2-ethylbenzamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2-ethylbenzamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2-ethylbenzamide is CCc1ccccc1C(=O)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2-ethylbenzamide?
The InChIKey is ABMAJRAJACGPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-2-13-8-6-7-11-15(13)17(20)19-16(12-18)14-9-4-3-5-10-14/h3-11,16H,2,12H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-1-phenylethyl)-2-ethylbenzamide?
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide has a molecular weight of 287.79 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-2-ethylbenzamide is sourced from PubChem (CID 114300081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).