N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide

C21H17Cl2NO2 — CID 4951768

IUPACN-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C21H17Cl2NO2/c1-14(21(25)24-19-9-5-8-18(22)20(19)23)26-17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,25)
InChIKeyAPUMWGACRKNDPV-UHFFFAOYSA-N
MW386.28 g/mol
LogP6.07
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide

N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 4951768) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
PubChem CID4951768
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC NameN-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C21H17Cl2NO2/c1-14(21(25)24-19-9-5-8-18(22)20(19)23)26-17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,25)
InChIKeyAPUMWGACRKNDPV-UHFFFAOYSA-N
XLogP6.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
N-(2-chlorophenyl)-4-oxo-4-[2-[(2R)-2-(4-phenylphenoxy)propanoyl]hydrazinyl]butanamide
CID 42427000
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide (CID 4951768) is N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is APUMWGACRKNDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c1-14(21(25)24-19-9-5-8-18(22)20(19)23)26-17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide?
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 386.28 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 4951768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).