N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide

C18H20FNO3 — CID 146316508

IUPACN-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO3/c1-4-20(13-7-5-6-12(19)8-13)18(23)15-9-14(11(2)3)16(21)10-17(15)22/h5-11,21-22H,4H2,1-3H3
InChIKeyHFPNOGIAYHWBFZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.03
Rot. Bonds4

About N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide

N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide (PubChem CID 146316508) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
PubChem CID146316508
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
SMILESCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO3/c1-4-20(13-7-5-6-12(19)8-13)18(23)15-9-14(11(2)3)16(21)10-17(15)22/h5-11,21-22H,4H2,1-3H3
InChIKeyHFPNOGIAYHWBFZ-UHFFFAOYSA-N
XLogP4.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
3-chloro-N-ethyl-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 66482587
N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
CID 112817546
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
CID 107027159
2-chloro-N-ethyl-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 107736178
5-chloro-N-ethyl-N-(3-fluorophenyl)-2-(methylamino)benzamide
CID 62179424
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
N-ethyl-4-fluoro-2-methyl-N-(3-methylphenyl)benzamide
CID 115745612
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
N-ethyl-2,4-dihydroxy-N-[2-(morpholine-4-carbonyl)phenyl]-5-propan-2-ylbenzamide
CID 146316426

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide (CID 146316508) is N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide is CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide?
The InChIKey is HFPNOGIAYHWBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-4-20(13-7-5-6-12(19)8-13)18(23)15-9-14(11(2)3)16(21)10-17(15)22/h5-11,21-22H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide?
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide has a molecular weight of 317.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide is sourced from PubChem (CID 146316508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).