carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide

C22H18ClNO4 — CID 163923949

IUPACcarbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide
SMILESO=C(CCc1cccc(-c2ccc(O)cc2)c1)Nc1cccc(Cl)c1.O=C=O
InChIInChI=1S/C21H18ClNO2.CO2/c22-18-5-2-6-19(14-18)23-21(25)12-7-15-3-1-4-17(13-15)16-8-10-20(24)11-9-16;2-1-3/h1-6,8-11,13-14,24H,7,12H2,(H,23,25);
InChIKeyRCVGKJQVBDRWOS-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.70
Rot. Bonds5

About carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide

carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide (PubChem CID 163923949) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide.

Molecular Properties

Compound Namecarbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide
PubChem CID163923949
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Namecarbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide
SMILESO=C(CCc1cccc(-c2ccc(O)cc2)c1)Nc1cccc(Cl)c1.O=C=O
InChIInChI=1S/C21H18ClNO2.CO2/c22-18-5-2-6-19(14-18)23-21(25)12-7-15-3-1-4-17(13-15)16-8-10-20(24)11-9-16;2-1-3/h1-6,8-11,13-14,24H,7,12H2,(H,23,25);
InChIKeyRCVGKJQVBDRWOS-UHFFFAOYSA-N
XLogP4.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

carbon dioxide;N-(3-chlorophenyl)-3-[3-(5-fluoro-3-pyridinyl)phenyl]propanamide
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3-(3-chlorophenyl)-N-phenylpropanamide
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N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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N,N'-bis(3-chlorophenyl)pentanediamide
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3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
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N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
1-(3-chlorophenyl)-3-(3-phenylpropanoylamino)thiourea
CID 9480196
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide?
The IUPAC name of carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide (CID 163923949) is carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide.
What is the SMILES notation for carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide?
The canonical SMILES for carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide is O=C(CCc1cccc(-c2ccc(O)cc2)c1)Nc1cccc(Cl)c1.O=C=O.
What is the InChIKey of carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide?
The InChIKey is RCVGKJQVBDRWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2.CO2/c22-18-5-2-6-19(14-18)23-21(25)12-7-15-3-1-4-17(13-15)16-8-10-20(24)11-9-16;2-1-3/h1-6,8-11,13-14,24H,7,12H2,(H,23,25);.
What are the key properties of carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide?
carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide has a molecular weight of 395.84 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide is sourced from PubChem (CID 163923949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).