3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide

C18H20ClNO2 — CID 111472067

IUPAC3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCC(O)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c19-16-8-4-5-14(13-16)9-10-18(22)20-12-11-17(21)15-6-2-1-3-7-15/h1-8,13,17,21H,9-12H2,(H,20,22)
InChIKeyFSPOGTAQQUGZQX-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.51
Rot. Bonds7

About 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide

3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide (PubChem CID 111472067) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
PubChem CID111472067
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCCC(O)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c19-16-8-4-5-14(13-16)9-10-18(22)20-12-11-17(21)15-6-2-1-3-7-15/h1-8,13,17,21H,9-12H2,(H,20,22)
InChIKeyFSPOGTAQQUGZQX-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide (CID 111472067) is 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide is O=C(CCc1cccc(Cl)c1)NCCC(O)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
The InChIKey is FSPOGTAQQUGZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c19-16-8-4-5-14(13-16)9-10-18(22)20-12-11-17(21)15-6-2-1-3-7-15/h1-8,13,17,21H,9-12H2,(H,20,22).
What are the key properties of 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide?
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide has a molecular weight of 317.82 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide is sourced from PubChem (CID 111472067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).