4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide

C18H20FNO3 — CID 118785542

IUPAC4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C18H20FNO3/c1-12(2)23-10-9-20-18(22)14-5-3-13(4-6-14)15-7-8-17(21)16(19)11-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyMRQCRBLTEKGMJG-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.35
Rot. Bonds6

About 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide

4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 118785542) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID118785542
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C18H20FNO3/c1-12(2)23-10-9-20-18(22)14-5-3-13(4-6-14)15-7-8-17(21)16(19)11-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyMRQCRBLTEKGMJG-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118787053
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-[2-(tert-butylamino)-2-oxoethyl]-4-(3-fluoro-4-hydroxyphenyl)benzamide
CID 119068202
4-bromo-3-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 104578560
4,5-difluoro-2-(2-propan-2-yloxyethylcarbamoyl)benzoic acid
CID 104759074
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide (CID 118785542) is 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCNC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1.
What is the InChIKey of 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is MRQCRBLTEKGMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12(2)23-10-9-20-18(22)14-5-3-13(4-6-14)15-7-8-17(21)16(19)11-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide?
4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 317.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 118785542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).