2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide

C19H15ClFNO2 — CID 56764114

IUPAC2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1c(F)cccc1Cl
InChIInChI=1S/C19H15ClFNO2/c20-15-9-4-10-16(21)18(15)19(24)22-11-17(23)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,17,23H,11H2,(H,22,24)
InChIKeyVQDBBXVQJLLTPO-UHFFFAOYSA-N
MW343.79 g/mol
LogP4.10
Rot. Bonds4

About 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide

2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide (PubChem CID 56764114) has the molecular formula C19H15ClFNO2 and a molecular weight of 343.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide
PubChem CID56764114
Molecular FormulaC19H15ClFNO2
Molecular Weight343.79 g/mol
Exact Mass343.08
IUPAC Name2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1c(F)cccc1Cl
InChIInChI=1S/C19H15ClFNO2/c20-15-9-4-10-16(21)18(15)19(24)22-11-17(23)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,17,23H,11H2,(H,22,24)
InChIKeyVQDBBXVQJLLTPO-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.10
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
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-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764204
2-chloro-6-fluoro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}benzamide
CID 56765442
2-chloro-6-fluoro-N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)benzamide
CID 71782144
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
N-benzyl-2-hydroxy-2-naphthalen-1-ylacetamide
CID 74080585
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-difluorobenzamide
CID 42893435
4-chloro-2-fluoro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43394547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide (CID 56764114) is 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide is O=C(NCC(O)c1cccc2ccccc12)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide?
The InChIKey is VQDBBXVQJLLTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2/c20-15-9-4-10-16(21)18(15)19(24)22-11-17(23)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,17,23H,11H2,(H,22,24).
What are the key properties of 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide?
2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide has a molecular weight of 343.79 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzamide is sourced from PubChem (CID 56764114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).