2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide

C19H23FN2O3 — CID 97227834

IUPAC2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1cccc([C@@H](O)CNC(=O)CNc2cccc(F)c2)c1
InChIInChI=1S/C19H23FN2O3/c1-13(2)25-17-8-3-5-14(9-17)18(23)11-22-19(24)12-21-16-7-4-6-15(20)10-16/h3-10,13,18,21,23H,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyVVQVWCZADPKRDR-SFHVURJKSA-N
MW346.40 g/mol
LogP2.87
Rot. Bonds8

About 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide

2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 97227834) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID97227834
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1cccc([C@@H](O)CNC(=O)CNc2cccc(F)c2)c1
InChIInChI=1S/C19H23FN2O3/c1-13(2)25-17-8-3-5-14(9-17)18(23)11-22-19(24)12-21-16-7-4-6-15(20)10-16/h3-10,13,18,21,23H,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyVVQVWCZADPKRDR-SFHVURJKSA-N
XLogP2.87
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71968998
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 111423701
2-(cyclopropylmethylamino)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 119792549
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
2-[cyclopropyl(methyl)amino]-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 111423733
2-(3-fluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39426142
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450793
2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide (CID 97227834) is 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1cccc([C@@H](O)CNC(=O)CNc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is VVQVWCZADPKRDR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13(2)25-17-8-3-5-14(9-17)18(23)11-22-19(24)12-21-16-7-4-6-15(20)10-16/h3-10,13,18,21,23H,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide?
2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 97227834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).