4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

C17H19FN2O2 — CID 97340412

IUPAC4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C17H19FN2O2/c1-20(2)13-8-9-14(15(18)10-13)17(22)19-16(11-21)12-6-4-3-5-7-12/h3-10,16,21H,11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyFCCMWTNYKJDXHZ-INIZCTEOSA-N
MW302.35 g/mol
LogP2.36
Rot. Bonds5

About 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 97340412) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID97340412
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(F)c1
InChIInChI=1S/C17H19FN2O2/c1-20(2)13-8-9-14(15(18)10-13)17(22)19-16(11-21)12-6-4-3-5-7-12/h3-10,16,21H,11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyFCCMWTNYKJDXHZ-INIZCTEOSA-N
XLogP2.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[4-(dimethylamino)-2-fluorobenzoyl]amino]-3-phenylpropanoic acid
CID 167763402
4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 84592943
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 97340290
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 141444513
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (CID 97340412) is 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is CN(C)c1ccc(C(=O)N[C@@H](CO)c2ccccc2)c(F)c1.
What is the InChIKey of 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is FCCMWTNYKJDXHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-20(2)13-8-9-14(15(18)10-13)17(22)19-16(11-21)12-6-4-3-5-7-12/h3-10,16,21H,11H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of 4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 302.35 g/mol, XLogP of 2.36, 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-[(1R)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 97340412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).