N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide

C17H18ClNO3 — CID 110780278

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CCOc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-21-16-8-7-14(18)11-13(16)12-19-17(20)9-10-22-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyADNAYQBIUHQACL-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.43
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide

N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide (PubChem CID 110780278) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
PubChem CID110780278
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
SMILESCOc1ccc(Cl)cc1CNC(=O)CCOc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-21-16-8-7-14(18)11-13(16)12-19-17(20)9-10-22-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyADNAYQBIUHQACL-UHFFFAOYSA-N
XLogP3.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
1-(5-chloro-2-methoxyphenyl)-3-phenoxypropan-1-one
CID 62790945
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
3-(3-bromophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26776021
N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987250
2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
CID 110755454
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide (CID 110780278) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide is COc1ccc(Cl)cc1CNC(=O)CCOc1ccccc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide?
The InChIKey is ADNAYQBIUHQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-16-8-7-14(18)11-13(16)12-19-17(20)9-10-22-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide has a molecular weight of 319.79 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 110780278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).