N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide

C22H20ClNO2 — CID 68816989

IUPACN-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(CO)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO2/c23-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-22(26)14-5-16-1-3-17(15-25)4-2-16/h1-4,6-13,25H,5,14-15H2,(H,24,26)
InChIKeyZWDFBQWVJCWLLL-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.07
Rot. Bonds6

About N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide

N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide (PubChem CID 68816989) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
PubChem CID68816989
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC NameN-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(CO)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO2/c23-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-22(26)14-5-16-1-3-17(15-25)4-2-16/h1-4,6-13,25H,5,14-15H2,(H,24,26)
InChIKeyZWDFBQWVJCWLLL-UHFFFAOYSA-N
XLogP5.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-N-(4-chlorophenyl)propanamide
CID 19221191
3-(4-chlorophenyl)-N-[4-[(2-cyanoacetyl)amino]phenyl]propanamide
CID 108922560
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-N-methylpropanamide
CID 54780708
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-(4-chlorophenyl)phenyl]-3-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]propanamide
CID 68817637
3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-N-methylpropanamide
CID 54780838
3-(4-chlorophenyl)-N-(6-methyl-3-pyridinyl)propanamide
CID 84581881
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide (CID 68816989) is N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide is O=C(CCc1ccc(CO)cc1)Nc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide?
The InChIKey is ZWDFBQWVJCWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c23-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-22(26)14-5-16-1-3-17(15-25)4-2-16/h1-4,6-13,25H,5,14-15H2,(H,24,26).
What are the key properties of N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide?
N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide has a molecular weight of 365.86 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)phenyl]-3-[4-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 68816989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).