N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide

C21H18ClNO2 — CID 2212566

IUPACN-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H18ClNO2/c22-17-12-13-20(25-18-9-5-2-6-10-18)19(15-17)23-21(24)14-11-16-7-3-1-4-8-16/h1-10,12-13,15H,11,14H2,(H,23,24)
InChIKeyHRTYVTFZTFFYSO-UHFFFAOYSA-N
MW351.83 g/mol
LogP5.70
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide

N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide (PubChem CID 2212566) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
PubChem CID2212566
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H18ClNO2/c22-17-12-13-20(25-18-9-5-2-6-10-18)19(15-17)23-21(24)14-11-16-7-3-1-4-8-16/h1-10,12-13,15H,11,14H2,(H,23,24)
InChIKeyHRTYVTFZTFFYSO-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-(5-chloro-2-phenoxyphenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 1006992
3-(2-chlorophenoxy)-N-(5-chloro-2-phenoxyphenyl)propanamide
CID 108789526
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3512680
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 55687945
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
CID 164852021
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4853195

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide (CID 2212566) is N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide?
The InChIKey is HRTYVTFZTFFYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-17-12-13-20(25-18-9-5-2-6-10-18)19(15-17)23-21(24)14-11-16-7-3-1-4-8-16/h1-10,12-13,15H,11,14H2,(H,23,24).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide?
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide has a molecular weight of 351.83 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2212566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).