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

C17H18ClNO2 — CID 114300243

IUPACN-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-16-11-7-6-10-14(16)17(20)19-15(12-18)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,20)
InChIKeyORYORSZDFMWHIV-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.80
Rot. Bonds6

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

N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide (PubChem CID 114300243) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
PubChem CID114300243
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NC(CCl)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-16-11-7-6-10-14(16)17(20)19-15(12-18)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,20)
InChIKeyORYORSZDFMWHIV-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530
N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555
methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 24554412
N-(1-phenylpropyl)-2-propan-2-yloxybenzamide
CID 43911562
2-ethoxy-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]benzamide
CID 136816308
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
CID 30120326
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide (CID 114300243) is N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide is CCOc1ccccc1C(=O)NC(CCl)c1ccccc1.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide?
The InChIKey is ORYORSZDFMWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-21-16-11-7-6-10-14(16)17(20)19-15(12-18)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide?
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide has a molecular weight of 303.79 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide is sourced from PubChem (CID 114300243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).