4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C13H19FN2O2 — CID 97340290

IUPAC4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C13H19FN2O2/c1-4-9(8-17)15-13(18)11-6-5-10(16(2)3)7-12(11)14/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m1/s1
InChIKeyPYDZYXMJEJCZQT-SECBINFHSA-N
MW254.31 g/mol
LogP1.39
Rot. Bonds5

About 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 97340290) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID97340290
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C13H19FN2O2/c1-4-9(8-17)15-13(18)11-6-5-10(16(2)3)7-12(11)14/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m1/s1
InChIKeyPYDZYXMJEJCZQT-SECBINFHSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 84592943
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
(3S)-3-[[4-(dimethylamino)-2-fluorobenzoyl]amino]-3-phenylpropanoic acid
CID 167763402
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
4-(dimethylamino)-2-fluoro-N-[(3R)-1-hydroxy-3-methylpentan-3-yl]benzamide
CID 97340435
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111414572
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 97340290) is 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1ccc(N(C)C)cc1F.
What is the InChIKey of 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is PYDZYXMJEJCZQT-SECBINFHSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-9(8-17)15-13(18)11-6-5-10(16(2)3)7-12(11)14/h5-7,9,17H,4,8H2,1-3H3,(H,15,18)/t9-/m1/s1.
What are the key properties of 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 254.31 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 97340290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).