N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide

C17H18ClNO2 — CID 114304946

IUPACN-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1C(C)Cl
InChIInChI=1S/C17H18ClNO2/c1-3-21-16-11-7-5-9-14(16)17(20)19-15-10-6-4-8-13(15)12(2)18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyIQZZIZWSNZNNMP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.64
Rot. Bonds5

About N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide

N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide (PubChem CID 114304946) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
PubChem CID114304946
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ccccc1C(C)Cl
InChIInChI=1S/C17H18ClNO2/c1-3-21-16-11-7-5-9-14(16)17(20)19-15-10-6-4-8-13(15)12(2)18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyIQZZIZWSNZNNMP-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.64
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

2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide (CID 114304946) is N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ccccc1C(C)Cl.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide?
The InChIKey is IQZZIZWSNZNNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-21-16-11-7-5-9-14(16)17(20)19-15-10-6-4-8-13(15)12(2)18/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide?
N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-2-ethoxybenzamide is sourced from PubChem (CID 114304946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).