N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide

C22H28FNO3 — CID 143782639

IUPACN-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(O)ccc1CCCCCNC(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C22H28FNO3/c1-22(2,3)18-14-17(25)10-8-15(18)7-5-4-6-12-24-21(27)16-9-11-20(26)19(23)13-16/h8-11,13-14,25-26H,4-7,12H2,1-3H3,(H,24,27)
InChIKeyQNODPCPKYHJZHK-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.68
Rot. Bonds7

About N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide

N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide (PubChem CID 143782639) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide
PubChem CID143782639
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC NameN-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide
SMILESCC(C)(C)c1cc(O)ccc1CCCCCNC(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C22H28FNO3/c1-22(2,3)18-14-17(25)10-8-15(18)7-5-4-6-12-24-21(27)16-9-11-20(26)19(23)13-16/h8-11,13-14,25-26H,4-7,12H2,1-3H3,(H,24,27)
InChIKeyQNODPCPKYHJZHK-UHFFFAOYSA-N
XLogP4.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide 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

3-bromo-4-tert-butyl-N-heptylbenzamide
CID 3399174
3,4-difluoro-N-heptylbenzamide
CID 91717416
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
3-fluoro-4-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 91798002
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
3-(2-tert-butyl-4-hydroxyphenyl)propanoate
CID 19073929
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
N-decyl-4-hydroxybenzamide
CID 15277871
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide (CID 143782639) is N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide is CC(C)(C)c1cc(O)ccc1CCCCCNC(=O)c1ccc(O)c(F)c1.
What is the InChIKey of N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide?
The InChIKey is QNODPCPKYHJZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-22(2,3)18-14-17(25)10-8-15(18)7-5-4-6-12-24-21(27)16-9-11-20(26)19(23)13-16/h8-11,13-14,25-26H,4-7,12H2,1-3H3,(H,24,27).
What are the key properties of N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide?
N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide has a molecular weight of 373.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-tert-butyl-4-hydroxyphenyl)pentyl]-3-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 143782639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).