(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide

C15H13ClFNO3 — CID 97060933

IUPAC(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
SMILESO=C(C[C@@H](O)c1cccc(F)c1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClFNO3/c16-10-4-5-13(19)12(7-10)18-15(21)8-14(20)9-2-1-3-11(17)6-9/h1-7,14,19-20H,8H2,(H,18,21)/t14-/m1/s1
InChIKeyCZMIBWJVTCGJCO-CQSZACIVSA-N
MW309.72 g/mol
LogP3.25
Rot. Bonds4

About (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide

(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide (PubChem CID 97060933) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
PubChem CID97060933
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
SMILESO=C(C[C@@H](O)c1cccc(F)c1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClFNO3/c16-10-4-5-13(19)12(7-10)18-15(21)8-14(20)9-2-1-3-11(17)6-9/h1-7,14,19-20H,8H2,(H,18,21)/t14-/m1/s1
InChIKeyCZMIBWJVTCGJCO-CQSZACIVSA-N
XLogP3.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763
5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
CID 66759860
N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 110026063
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid
CID 167873816
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099498
(2S)-2-(benzylamino)-4-(5-chloro-2-hydroxyanilino)-4-oxobutanoic acid
CID 41397676
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 97339857

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide?
The IUPAC name of (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide (CID 97060933) is (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide?
The canonical SMILES for (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide is O=C(C[C@@H](O)c1cccc(F)c1)Nc1cc(Cl)ccc1O.
What is the InChIKey of (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide?
The InChIKey is CZMIBWJVTCGJCO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c16-10-4-5-13(19)12(7-10)18-15(21)8-14(20)9-2-1-3-11(17)6-9/h1-7,14,19-20H,8H2,(H,18,21)/t14-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide?
(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide has a molecular weight of 309.72 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 97060933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).