4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide

C26H21F2NO3 — CID 22261489

IUPAC4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1cccc(O)c1)C(O)c1ccc(F)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C26H21F2NO3/c27-18-10-8-17(9-11-18)25(31)24(15-16-4-3-5-19(30)14-16)29-26(32)22-12-13-23(28)21-7-2-1-6-20(21)22/h1-14,24-25,30-31H,15H2,(H,29,32)
InChIKeyQUYBALWCBLJMTR-UHFFFAOYSA-N
MW433.45 g/mol
LogP4.90
Rot. Bonds6

About 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide

4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide (PubChem CID 22261489) has the molecular formula C26H21F2NO3 and a molecular weight of 433.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide
PubChem CID22261489
Molecular FormulaC26H21F2NO3
Molecular Weight433.45 g/mol
Exact Mass433.15
IUPAC Name4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide
SMILESO=C(NC(Cc1cccc(O)c1)C(O)c1ccc(F)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C26H21F2NO3/c27-18-10-8-17(9-11-18)25(31)24(15-16-4-3-5-19(30)14-16)29-26(32)22-12-13-23(28)21-7-2-1-6-20(21)22/h1-14,24-25,30-31H,15H2,(H,29,32)
InChIKeyQUYBALWCBLJMTR-UHFFFAOYSA-N
XLogP4.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[(1R,2R)-1-(4-fluorophenyl)-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]naphthalene-1-carboxamide
CID 57454670
4-fluoro-N-[1-hydroxy-1-naphthalen-1-yl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]naphthalene-1-carboxamide
CID 22261498
4-fluoro-N-[1-hydroxy-1-(5-phenoxy-2-pyridinyl)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-yl]naphthalene-1-carboxamide
CID 22261882
N-[1-(4-fluorophenyl)-1-hydroxy-3-[3-(trifluoromethylsulfonyl)phenyl]propan-2-yl]carbamate
CID 22261607
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
N-[1,3-bis(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-phenylbutanamide
CID 22261775
N-[3,4-dihydroxy-5-[[2-(3-hydroxyphenyl)acetyl]amino]-1,6-diphenylhexan-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 20978713
N-[1-(4-fluorophenyl)-1-hydroxy-3-[3-(trifluoromethylsulfanyl)phenyl]propan-2-yl]-8,9-dihydro-7H-benzo[7]annulene-4-carboxamide
CID 22261658
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-phenoxybenzamide
CID 22261718
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
N-[3-(4-tert-butylphenyl)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]-5-chloronaphthalene-1-carboxamide
CID 22262327

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide (CID 22261489) is 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide is O=C(NC(Cc1cccc(O)c1)C(O)c1ccc(F)cc1)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide?
The InChIKey is QUYBALWCBLJMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2NO3/c27-18-10-8-17(9-11-18)25(31)24(15-16-4-3-5-19(30)14-16)29-26(32)22-12-13-23(28)21-7-2-1-6-20(21)22/h1-14,24-25,30-31H,15H2,(H,29,32).
What are the key properties of 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide?
4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide has a molecular weight of 433.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-fluorophenyl)-1-hydroxy-3-(3-hydroxyphenyl)propan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 22261489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).