2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide

C20H17ClFNO2 — CID 71787933

IUPAC2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C20H17ClFNO2/c21-18-12-14(22)8-9-17(18)20(25)23-11-10-19(24)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,19,24H,10-11H2,(H,23,25)
InChIKeyPDEFAIINMQHKRW-UHFFFAOYSA-N
MW357.81 g/mol
LogP4.49
Rot. Bonds5

About 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide

2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide (PubChem CID 71787933) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide
PubChem CID71787933
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC Name2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)c1ccc(F)cc1Cl
InChIInChI=1S/C20H17ClFNO2/c21-18-12-14(22)8-9-17(18)20(25)23-11-10-19(24)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,19,24H,10-11H2,(H,23,25)
InChIKeyPDEFAIINMQHKRW-UHFFFAOYSA-N
XLogP4.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[2-hydroxy-2-(2-naphthyl)ethyl]benzenecarboxamide
CID 3544778
2'-(2-Chloro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431344
N-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]naphthalene-2-carboxamide
CID 44453084
N-[(2S)-1,3-dihydroxy-1-phenylpropan-2-yl]naphthalene-2-carboxamide
CID 44421791
3-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzamide
CID 56764098
N-[2-hydroxy-2-(naphthalen-1-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 56764121
2-chloro-6-fluoro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}benzamide
CID 56765442
2-chloro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzamide
CID 56764106
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70705386
2-chloro-6-fluoro-N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 16676886
2-chloro-6-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzamide
CID 56764114
2-Fluoro-N-[3-hydroxy-3-(naphthalen-1-YL)propyl]benzamide
CID 71787915

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide (CID 71787933) is 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide is O=C(NCCC(O)c1cccc2ccccc12)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
The InChIKey is PDEFAIINMQHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c21-18-12-14(22)8-9-17(18)20(25)23-11-10-19(24)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,12,19,24H,10-11H2,(H,23,25).
What are the key properties of 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide?
2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide has a molecular weight of 357.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzamide is sourced from PubChem (CID 71787933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).