N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide

C17H18ClNO3 — CID 2110464

IUPACN-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2cccc(C)c2)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-12-4-3-5-14(10-12)22-9-8-17(20)19-13-6-7-16(21-2)15(18)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyIDBLTBTYQORRGH-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.06
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide (PubChem CID 2110464) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
PubChem CID2110464
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2cccc(C)c2)cc1Cl
InChIInChI=1S/C17H18ClNO3/c1-12-4-3-5-14(10-12)22-9-8-17(20)19-13-6-7-16(21-2)15(18)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20)
InChIKeyIDBLTBTYQORRGH-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-[4-(3-chloro-4-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987213
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119419628
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113019106
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-methylphenoxy)propanamide
CID 8921028
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide (CID 2110464) is N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide is COc1ccc(NC(=O)CCOc2cccc(C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide?
The InChIKey is IDBLTBTYQORRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-4-3-5-14(10-12)22-9-8-17(20)19-13-6-7-16(21-2)15(18)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide has a molecular weight of 319.79 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2110464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).