N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide

C22H21ClN2O3 — CID 112987250

IUPACN-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3/c1-27-21-12-7-16(23)15-20(21)24-17-8-10-18(11-9-17)25-22(26)13-14-28-19-5-3-2-4-6-19/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeyAYMCCFLAUMWYIO-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.50
Rot. Bonds8

About N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide

N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide (PubChem CID 112987250) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
PubChem CID112987250
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC NameN-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C22H21ClN2O3/c1-27-21-12-7-16(23)15-20(21)24-17-8-10-18(11-9-17)25-22(26)13-14-28-19-5-3-2-4-6-19/h2-12,15,24H,13-14H2,1H3,(H,25,26)
InChIKeyAYMCCFLAUMWYIO-UHFFFAOYSA-N
XLogP5.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-chloro-4-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987213
N-[4-(3-methoxyanilino)phenyl]-3-phenoxypropanamide
CID 112987443
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113019106
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(4-anilinophenyl)-3-(2-methoxyphenoxy)propanamide
CID 60520385
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
CID 4856932
1-(5-chloro-2-methoxyphenyl)-3-phenoxypropan-1-one
CID 62790945

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide (CID 112987250) is N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide is COc1ccc(Cl)cc1Nc1ccc(NC(=O)CCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide?
The InChIKey is AYMCCFLAUMWYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-21-12-7-16(23)15-20(21)24-17-8-10-18(11-9-17)25-22(26)13-14-28-19-5-3-2-4-6-19/h2-12,15,24H,13-14H2,1H3,(H,25,26).
What are the key properties of N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide?
N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide has a molecular weight of 396.87 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-methoxyanilino)phenyl]-3-phenoxypropanamide is sourced from PubChem (CID 112987250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).