4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide

C15H22FNO2 — CID 134970109

IUPAC4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(F)cc1[C@H](C)O)C(C)C
InChIInChI=1S/C15H22FNO2/c1-9(2)17(10(3)4)15(19)13-7-6-12(16)8-14(13)11(5)18/h6-11,18H,1-5H3/t11-/m0/s1
InChIKeyXKYBKEJVWQMNGB-NSHDSACASA-N
MW267.34 g/mol
LogP3.14
Rot. Bonds4

About 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide

4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 134970109) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide
PubChem CID134970109
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(F)cc1[C@H](C)O)C(C)C
InChIInChI=1S/C15H22FNO2/c1-9(2)17(10(3)4)15(19)13-7-6-12(16)8-14(13)11(5)18/h6-11,18H,1-5H3/t11-/m0/s1
InChIKeyXKYBKEJVWQMNGB-NSHDSACASA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3237528
N-benzyl-2-(hydroxymethyl)benzamide
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(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-Nethylbenzamide
CID 24895553
2-((Bis(1-methylethyl)amino)carbonyl)benzoic acid
CID 209756
2-(Dimethylcarbamoyl)benzoic acid
CID 348589
2-(((2-Ethylhexyl)methylamino)carbonyl)benzoic acid
CID 15800895
N,N-Diethyl-3,6-difluorophthalamic acid
CID 688183
Benzoic acid, 2-[(dioctadecylamino)carbonyl]-
CID 12011835
3-hydroxy-2-(1-phenylethyl)-3H-isoindol-1-one
CID 9550759
2-(Hydroxymethyl)-N-methylbenzamide
CID 4147605

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide (CID 134970109) is 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(F)cc1[C@H](C)O)C(C)C.
What is the InChIKey of 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is XKYBKEJVWQMNGB-NSHDSACASA-N. The full InChI is InChI=1S/C15H22FNO2/c1-9(2)17(10(3)4)15(19)13-7-6-12(16)8-14(13)11(5)18/h6-11,18H,1-5H3/t11-/m0/s1.
What are the key properties of 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide?
4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 267.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 134970109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).