N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide

C19H21FN2O3 — CID 110888740

IUPACN-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(O)c1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O3/c1-13(22-19(25)15-5-3-2-4-6-15)11-18(24)21-12-17(23)14-7-9-16(20)10-8-14/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyNEXROSGHVVQQDF-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.18
Rot. Bonds7

About N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide

N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 110888740) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID110888740
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(O)c1ccc(F)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O3/c1-13(22-19(25)15-5-3-2-4-6-15)11-18(24)21-12-17(23)14-7-9-16(20)10-8-14/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyNEXROSGHVVQQDF-UHFFFAOYSA-N
XLogP2.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51195418
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24640240
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylhexanamide
CID 110911200
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-phenylbut-2-enamide
CID 110912770
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24599874

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide (CID 110888740) is N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NCC(O)c1ccc(F)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is NEXROSGHVVQQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13(22-19(25)15-5-3-2-4-6-15)11-18(24)21-12-17(23)14-7-9-16(20)10-8-14/h2-10,13,17,23H,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 110888740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).