3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide

C19H21FN2O3 — CID 75519763

IUPAC3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(C)(C)NC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-19(2,15-9-4-5-10-16(15)25-3)22-17(23)12-21-18(24)13-7-6-8-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQQUHXTPBQQYTQB-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.62
Rot. Bonds6

About 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide (PubChem CID 75519763) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide
PubChem CID75519763
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(C)(C)NC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-19(2,15-9-4-5-10-16(15)25-3)22-17(23)12-21-18(24)13-7-6-8-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQQUHXTPBQQYTQB-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
3-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642566
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]butanoate
CID 78825239
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-[2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-2-oxoethyl]-3-fluorobenzamide
CID 119034459
N-[2-[(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 136909142
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide (CID 75519763) is 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide is COc1ccccc1C(C)(C)NC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide?
The InChIKey is QQUHXTPBQQYTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(2,15-9-4-5-10-16(15)25-3)22-17(23)12-21-18(24)13-7-6-8-14(20)11-13/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[2-(2-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 75519763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).