N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide

C19H22FNO3 — CID 125167425

IUPACN-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide
SMILESC[C@](O)(CCCO)CNC(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-19(24,10-3-11-22)13-21-18(23)16-5-2-4-15(12-16)14-6-8-17(20)9-7-14/h2,4-9,12,22,24H,3,10-11,13H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyHNDITYUOAYJREZ-IBGZPJMESA-N
MW331.39 g/mol
LogP2.75
Rot. Bonds7

About N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide

N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide (PubChem CID 125167425) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide
PubChem CID125167425
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide
SMILESC[C@](O)(CCCO)CNC(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-19(24,10-3-11-22)13-21-18(23)16-5-2-4-15(12-16)14-6-8-17(20)9-7-14/h2,4-9,12,22,24H,3,10-11,13H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyHNDITYUOAYJREZ-IBGZPJMESA-N
XLogP2.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide
CID 125174711
3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide
CID 122559927
2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
CID 169198623
1-(2,5-dihydroxy-2-methylpentyl)-3-[4-(3-methylphenyl)phenyl]urea
CID 118784892
1-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-[4-(3-methylphenyl)phenyl]urea
CID 125169821
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide?
The IUPAC name of N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide (CID 125167425) is N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide is C[C@](O)(CCCO)CNC(=O)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide?
The InChIKey is HNDITYUOAYJREZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FNO3/c1-19(24,10-3-11-22)13-21-18(23)16-5-2-4-15(12-16)14-6-8-17(20)9-7-14/h2,4-9,12,22,24H,3,10-11,13H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide?
N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide has a molecular weight of 331.39 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide is sourced from PubChem (CID 125167425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).