3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide

C19H20F3NO4 — CID 95787812

IUPAC3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)[C@@H](O)c1ccccc1F
InChIInChI=1S/C19H20F3NO4/c1-3-14(17(24)12-6-4-5-7-13(12)20)23-18(25)11-8-9-15(26-2)16(10-11)27-19(21)22/h4-10,14,17,19,24H,3H2,1-2H3,(H,23,25)/t14-,17+/m1/s1
InChIKeyPKLXWTZKRYUCJN-PBHICJAKSA-N
MW383.37 g/mol
LogP3.68
Rot. Bonds8

About 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide

3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide (PubChem CID 95787812) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide
PubChem CID95787812
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Name3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide
SMILESCC[C@@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)[C@@H](O)c1ccccc1F
InChIInChI=1S/C19H20F3NO4/c1-3-14(17(24)12-6-4-5-7-13(12)20)23-18(25)11-8-9-15(26-2)16(10-11)27-19(21)22/h4-10,14,17,19,24H,3H2,1-2H3,(H,23,25)/t14-,17+/m1/s1
InChIKeyPKLXWTZKRYUCJN-PBHICJAKSA-N
XLogP3.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119383172
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CID 55656144
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
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N-[(1S)-1-(2-bromophenyl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9220094
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
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3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
3-(difluoromethoxy)-4-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55759400
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
4-(difluoromethoxy)-3-ethoxy-N'-(2-fluorobenzoyl)benzohydrazide
CID 9402051
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide (CID 95787812) is 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide is CC[C@@H](NC(=O)c1ccc(OC)c(OC(F)F)c1)[C@@H](O)c1ccccc1F.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide?
The InChIKey is PKLXWTZKRYUCJN-PBHICJAKSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-3-14(17(24)12-6-4-5-7-13(12)20)23-18(25)11-8-9-15(26-2)16(10-11)27-19(21)22/h4-10,14,17,19,24H,3H2,1-2H3,(H,23,25)/t14-,17+/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide?
3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide has a molecular weight of 383.37 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1S,2R)-1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 95787812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).