N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide

C23H22ClNO2 — CID 100750102

IUPACN-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C23H22ClNO2/c1-2-25(16-18-9-4-3-5-10-18)23(26)19-12-8-13-21(15-19)27-17-20-11-6-7-14-22(20)24/h3-15H,2,16-17H2,1H3
InChIKeyYKXJBEAKNMPHNG-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.58
Rot. Bonds7

About N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide

N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide (PubChem CID 100750102) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
PubChem CID100750102
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC NameN-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C23H22ClNO2/c1-2-25(16-18-9-4-3-5-10-18)23(26)19-12-8-13-21(15-19)27-17-20-11-6-7-14-22(20)24/h3-15H,2,16-17H2,1H3
InChIKeyYKXJBEAKNMPHNG-UHFFFAOYSA-N
XLogP5.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
CID 60566746
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
3-[benzyl(ethyl)carbamoyl]benzoic acid
CID 43452784
3-[(2-chlorophenyl)methoxy]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 100750097
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
3-[(2-chlorophenyl)methoxy]-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 100750034
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide?
The IUPAC name of N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide (CID 100750102) is N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide.
What is the SMILES notation for N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide?
The canonical SMILES for N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide is CCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide?
The InChIKey is YKXJBEAKNMPHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-2-25(16-18-9-4-3-5-10-18)23(26)19-12-8-13-21(15-19)27-17-20-11-6-7-14-22(20)24/h3-15H,2,16-17H2,1H3.
What are the key properties of N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide?
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide has a molecular weight of 379.89 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide is sourced from PubChem (CID 100750102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).