3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide

C19H19FN2O3 — CID 155812516

IUPAC3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide
SMILESC=CC(=O)N[C@@H](CO)Cc1ccc(-c2cc(F)cc(C(N)=O)c2)cc1
InChIInChI=1S/C19H19FN2O3/c1-2-18(24)22-17(11-23)7-12-3-5-13(6-4-12)14-8-15(19(21)25)10-16(20)9-14/h2-6,8-10,17,23H,1,7,11H2,(H2,21,25)(H,22,24)/t17-/m1/s1
InChIKeyCQFQQXGUMLJVJO-QGZVFWFLSA-N
MW342.37 g/mol
LogP1.80
Rot. Bonds7

About 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide

3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide (PubChem CID 155812516) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide
PubChem CID155812516
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide
SMILESC=CC(=O)N[C@@H](CO)Cc1ccc(-c2cc(F)cc(C(N)=O)c2)cc1
InChIInChI=1S/C19H19FN2O3/c1-2-18(24)22-17(11-23)7-12-3-5-13(6-4-12)14-8-15(19(21)25)10-16(20)9-14/h2-6,8-10,17,23H,1,7,11H2,(H2,21,25)(H,22,24)/t17-/m1/s1
InChIKeyCQFQQXGUMLJVJO-QGZVFWFLSA-N
XLogP1.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorophenyl)-3-hydroxypropan-2-yl]prop-2-enamide
CID 139015337
3-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-methylbenzamide
CID 102673606
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
N-[1-[4-(4-acetylphenyl)phenyl]-3-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 77465516
3-[4-(carboxymethyl)phenyl]-5-fluorobenzoic acid
CID 70699869
5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
CID 129358679
(E)-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 102096307
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 144792682
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide (CID 155812516) is 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide is C=CC(=O)N[C@@H](CO)Cc1ccc(-c2cc(F)cc(C(N)=O)c2)cc1.
What is the InChIKey of 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide?
The InChIKey is CQFQQXGUMLJVJO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-2-18(24)22-17(11-23)7-12-3-5-13(6-4-12)14-8-15(19(21)25)10-16(20)9-14/h2-6,8-10,17,23H,1,7,11H2,(H2,21,25)(H,22,24)/t17-/m1/s1.
What are the key properties of 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide?
3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide has a molecular weight of 342.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-[(2R)-3-hydroxy-2-(prop-2-enoylamino)propyl]phenyl]benzamide is sourced from PubChem (CID 155812516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).