N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide

C16H14Cl3NO2 — CID 15917903

IUPACN-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
SMILESCc1c(Cl)ccc(OC(C)C(=O)Nc2ccccc2Cl)c1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-9-11(17)7-8-14(15(9)19)22-10(2)16(21)20-13-6-4-3-5-12(13)18/h3-8,10H,1-2H3,(H,20,21)
InChIKeyTUDCLCLBYYCYSN-UHFFFAOYSA-N
MW358.65 g/mol
LogP5.36
Rot. Bonds4

About N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide

N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide (PubChem CID 15917903) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
PubChem CID15917903
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC NameN-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
SMILESCc1c(Cl)ccc(OC(C)C(=O)Nc2ccccc2Cl)c1Cl
InChIInChI=1S/C16H14Cl3NO2/c1-9-11(17)7-8-14(15(9)19)22-10(2)16(21)20-13-6-4-3-5-12(13)18/h3-8,10H,1-2H3,(H,20,21)
InChIKeyTUDCLCLBYYCYSN-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

(2R)-N-(2-chlorophenyl)-2-(2,5-dichlorophenoxy)propanamide
CID 903590
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
2-(2,4-dichloro-3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 15917901
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(2-chlorophenyl)propanamide
CID 8728698

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide (CID 15917903) is N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide is Cc1c(Cl)ccc(OC(C)C(=O)Nc2ccccc2Cl)c1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
The InChIKey is TUDCLCLBYYCYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c1-9-11(17)7-8-14(15(9)19)22-10(2)16(21)20-13-6-4-3-5-12(13)18/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide?
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)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 N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide is sourced from PubChem (CID 15917903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).