2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide

C16H14Cl3NO2 — CID 53265973

IUPAC2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-9-7-12(4-6-13(9)17)22-10(2)16(21)20-11-3-5-14(18)15(19)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyWDZAMTNWBLPZHH-UHFFFAOYSA-N
MW358.65 g/mol
LogP5.36
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide

2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide (PubChem CID 53265973) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
PubChem CID53265973
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-9-7-12(4-6-13(9)17)22-10(2)16(21)20-11-3-5-14(18)15(19)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyWDZAMTNWBLPZHH-UHFFFAOYSA-N
XLogP5.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 26802583
(2R)-N-(3,4-dichlorophenyl)-2-(4-fluorophenoxy)propanamide
CID 40721189
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
2-(4-chloro-3-methylphenoxy)-N-(3-fluorophenyl)propanamide
CID 53265982
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide (CID 53265973) is 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is WDZAMTNWBLPZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-9-7-12(4-6-13(9)17)22-10(2)16(21)20-11-3-5-14(18)15(19)8-11/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 358.65 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 53265973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).