N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide

C17H18ClNO3 — CID 139823913

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide
SMILESCOCOc1ccccc1N(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C17H18ClNO3/c1-13(20)19(11-14-7-9-15(18)10-8-14)16-5-3-4-6-17(16)22-12-21-2/h3-10H,11-12H2,1-2H3
InChIKeyLZKHKUAQSCZJNZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.88
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide

N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide (PubChem CID 139823913) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide
PubChem CID139823913
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide
SMILESCOCOc1ccccc1N(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C17H18ClNO3/c1-13(20)19(11-14-7-9-15(18)10-8-14)16-5-3-4-6-17(16)22-12-21-2/h3-10H,11-12H2,1-2H3
InChIKeyLZKHKUAQSCZJNZ-UHFFFAOYSA-N
XLogP3.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-[(2,5-dimethoxyphenyl)methyl]-N-[2-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 139823912
N-(5-chloro-2-phenylmethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 143430294
N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
CID 87179245
N-[2-[(4-chlorophenyl)methyl]-3-pyridinyl]-N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]acetamide
CID 89100637
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
2-amino-N-benzyl-N-(2-methoxyphenyl)acetamide
CID 39369464
N-[2-(4-chlorophenoxy)-3-pyridinyl]-N-[[5-ethyl-2-(fluoromethoxy)phenyl]methyl]acetamide
CID 70919061

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide (CID 139823913) is N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide is COCOc1ccccc1N(Cc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide?
The InChIKey is LZKHKUAQSCZJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-13(20)19(11-14-7-9-15(18)10-8-14)16-5-3-4-6-17(16)22-12-21-2/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide?
N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(methoxymethoxy)phenyl]acetamide is sourced from PubChem (CID 139823913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).