3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide

C21H23ClFNO3 — CID 91782922

IUPAC3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccccc2Cl)C2CC(O)C2)cc1F
InChIInChI=1S/C21H23ClFNO3/c1-27-19-8-6-14(12-18(19)23)21(15-10-16(25)11-15)24-20(26)9-7-13-4-2-3-5-17(13)22/h2-6,8,12,15-16,21,25H,7,9-11H2,1H3,(H,24,26)
InChIKeyHRVWNVHJYGZEHQ-UHFFFAOYSA-N
MW391.87 g/mol
LogP4.05
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide

3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide (PubChem CID 91782922) has the molecular formula C21H23ClFNO3 and a molecular weight of 391.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide
PubChem CID91782922
Molecular FormulaC21H23ClFNO3
Molecular Weight391.87 g/mol
Exact Mass391.14
IUPAC Name3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide
SMILESCOc1ccc(C(NC(=O)CCc2ccccc2Cl)C2CC(O)C2)cc1F
InChIInChI=1S/C21H23ClFNO3/c1-27-19-8-6-14(12-18(19)23)21(15-10-16(25)11-15)24-20(26)9-7-13-4-2-3-5-17(13)22/h2-6,8,12,15-16,21,25H,7,9-11H2,1H3,(H,24,26)
InChIKeyHRVWNVHJYGZEHQ-UHFFFAOYSA-N
XLogP4.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-methylsulfanylpropanamide
CID 91770108
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 91762362
2-(3,5-dimethylpyrazolidin-4-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 133264938
2-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]acetamide
CID 91786570
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 91769864
2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91772588
2-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
CID 91790696
3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86956297
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide (CID 91782922) is 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide is COc1ccc(C(NC(=O)CCc2ccccc2Cl)C2CC(O)C2)cc1F.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is HRVWNVHJYGZEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO3/c1-27-19-8-6-14(12-18(19)23)21(15-10-16(25)11-15)24-20(26)9-7-13-4-2-3-5-17(13)22/h2-6,8,12,15-16,21,25H,7,9-11H2,1H3,(H,24,26).
What are the key properties of 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide?
3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 391.87 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)-(3-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 91782922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).