N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide

C21H18ClNO2 — CID 57394716

IUPACN-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
SMILESO=C(CCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2/c22-17-7-5-8-18(15-17)23-21(24)13-12-16-6-4-11-20(14-16)25-19-9-2-1-3-10-19/h1-11,14-15H,12-13H2,(H,23,24)
InChIKeyGSASVBXJXFQKNE-UHFFFAOYSA-N
MW351.83 g/mol
LogP5.70
Rot. Bonds6

About N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide

N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 57394716) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID57394716
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC NameN-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
SMILESO=C(CCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H18ClNO2/c22-17-7-5-8-18(15-17)23-21(24)13-12-16-6-4-11-20(14-16)25-19-9-2-1-3-10-19/h1-11,14-15H,12-13H2,(H,23,24)
InChIKeyGSASVBXJXFQKNE-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

CID 54682505
CID 54682505
CID 54679302
CID 54679302
CID 54685508
CID 54685508
CID 903519
CID 903519
CID 6539461
CID 6539461
CID 3604523
CID 3604523
CID 995487
CID 995487
CID 2666115
CID 2666115
CID 4951707
CID 4951707
CID 10713713
CID 10713713
CID 16756637
CID 16756637
CID 54682999
CID 54682999

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide (CID 57394716) is N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide is O=C(CCc1cccc(Oc2ccccc2)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is GSASVBXJXFQKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c22-17-7-5-8-18(15-17)23-21(24)13-12-16-6-4-11-20(14-16)25-19-9-2-1-3-10-19/h1-11,14-15H,12-13H2,(H,23,24).
What are the key properties of N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide?
N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide 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-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 57394716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).