2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide

C17H18ClNO3 — CID 53265989

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-11-10-13(8-9-14(11)18)22-12(2)17(20)19-15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3,(H,19,20)
InChIKeyNCMVPIFMXBLLQZ-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.06
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide

2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide (PubChem CID 53265989) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
PubChem CID53265989
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-11-10-13(8-9-14(11)18)22-12(2)17(20)19-15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3,(H,19,20)
InChIKeyNCMVPIFMXBLLQZ-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-(3,4-dimethylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 17340995
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
(2R)-2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 925101
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87025364
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7794737
2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 19203871
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
N-(2,5-dichlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 4248246
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
CID 2939832
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide (CID 53265989) is 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide?
The InChIKey is NCMVPIFMXBLLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11-10-13(8-9-14(11)18)22-12(2)17(20)19-15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide has a molecular weight of 319.79 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 53265989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).