4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide

C18H21FN2O2 — CID 84592943

IUPAC4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NC(CO)Cc2ccccc2)c(F)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)15-8-9-16(17(19)11-15)18(23)20-14(12-22)10-13-6-4-3-5-7-13/h3-9,11,14,22H,10,12H2,1-2H3,(H,20,23)
InChIKeySTUCMLZZFZNREX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.23
Rot. Bonds6

About 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide

4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (PubChem CID 84592943) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
PubChem CID84592943
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NC(CO)Cc2ccccc2)c(F)c1
InChIInChI=1S/C18H21FN2O2/c1-21(2)15-8-9-16(17(19)11-15)18(23)20-14(12-22)10-13-6-4-3-5-7-13/h3-9,11,14,22H,10,12H2,1-2H3,(H,20,23)
InChIKeySTUCMLZZFZNREX-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 97340290
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
4-(dimethylamino)-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 97340412
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
(3S)-3-[[4-(dimethylamino)-2-fluorobenzoyl]amino]-3-phenylpropanoic acid
CID 167763402
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
2-fluoro-N-(1-phenylbutan-2-yl)benzamide
CID 2973548

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (CID 84592943) is 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide is CN(C)c1ccc(C(=O)NC(CO)Cc2ccccc2)c(F)c1.
What is the InChIKey of 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The InChIKey is STUCMLZZFZNREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-21(2)15-8-9-16(17(19)11-15)18(23)20-14(12-22)10-13-6-4-3-5-7-13/h3-9,11,14,22H,10,12H2,1-2H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.23, 6 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-(1-hydroxy-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 84592943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).