N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide

C17H18ClNO2 — CID 112790366

IUPACN-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-21-15-10-8-13(9-11-15)17(20)19(2)12-14-6-4-5-7-16(14)18/h4-11H,3,12H2,1-2H3
InChIKeyMBFILPGGKPOMGA-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.01
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide

N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide (PubChem CID 112790366) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
PubChem CID112790366
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-21-15-10-8-13(9-11-15)17(20)19(2)12-14-6-4-5-7-16(14)18/h4-11H,3,12H2,1-2H3
InChIKeyMBFILPGGKPOMGA-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
N-[(2-chlorophenyl)methyl]-4-hydrazinyl-N-methylbenzamide
CID 62242071
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[(2-chlorophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 78802983
3-amino-N-[(2-chlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60937650
N-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 31288395
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide (CID 112790366) is N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide is CCOc1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide?
The InChIKey is MBFILPGGKPOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-21-15-10-8-13(9-11-15)17(20)19(2)12-14-6-4-5-7-16(14)18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide?
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide is sourced from PubChem (CID 112790366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).