2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide

C17H15ClFNO2 — CID 71782144

IUPAC2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFNO2/c18-13-6-3-7-14(19)15(13)16(21)20-10-17(22)9-8-11-4-1-2-5-12(11)17/h1-7,22H,8-10H2,(H,20,21)
InChIKeyFMMJYTLXTKXRKW-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.04
Rot. Bonds3

About 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide (PubChem CID 71782144) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
PubChem CID71782144
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFNO2/c18-13-6-3-7-14(19)15(13)16(21)20-10-17(22)9-8-11-4-1-2-5-12(11)17/h1-7,22H,8-10H2,(H,20,21)
InChIKeyFMMJYTLXTKXRKW-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Chloro-3'-[[[(1-hydroxycycloheptyl)methyl]amino]carbonyl]-[1,1'-biphenyl]-2-carboxylic acid
CID 11531460
2-chloro-4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylbenzamide
CID 59492770
2-chloro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764204
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 71782154
2-chloro-6-fluoro-N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)benzamide
CID 56764114
2,6-difluoro-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]benzamide
CID 91631175
N-[(S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]2-chloro-6-fluorobenzamide
CID 95376485
N-[(S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]2-chloro-4-fluorobenzamide
CID 95379393
N-{[(S)-1-hydroxy-1-indanyl]methyl}o-fluorobenzamide
CID 95983064
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]2-chloro-4-fluorobenzamide
CID 96351459
N-[(2-chloro-6-fluorophenyl)methyl]-2-(hydroxymethyl)benzamide
CID 23019870
(1R)-1-[(2-chlorobenzoyl)amino]-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide (CID 71782144) is 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide is O=C(NCC1(O)CCc2ccccc21)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The InChIKey is FMMJYTLXTKXRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c18-13-6-3-7-14(19)15(13)16(21)20-10-17(22)9-8-11-4-1-2-5-12(11)17/h1-7,22H,8-10H2,(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide has a molecular weight of 319.76 g/mol, XLogP of 3.04, 3 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-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide is sourced from PubChem (CID 71782144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).