N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide

C17H18FN3O3 — CID 51080282

IUPACN-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O3/c1-11(22)20-12-6-8-13(9-7-12)21-17(24)19-10-16(23)14-4-2-3-5-15(14)18/h2-9,16,23H,10H2,1H3,(H,20,22)(H2,19,21,24)
InChIKeyCVIZBSDFCIFYLJ-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.64
Rot. Bonds5

About N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide

N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide (PubChem CID 51080282) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
PubChem CID51080282
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C17H18FN3O3/c1-11(22)20-12-6-8-13(9-7-12)21-17(24)19-10-16(23)14-4-2-3-5-15(14)18/h2-9,16,23H,10H2,1H3,(H,20,22)(H2,19,21,24)
InChIKeyCVIZBSDFCIFYLJ-UHFFFAOYSA-N
XLogP2.64
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
1-(4-cyanophenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51724842
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-sulfamoylphenyl)urea
CID 42958119
1-(3-fluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94809233
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 52580627
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 60545716
N'-(4-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893729
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
1-(3-ethynylphenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75877588

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide (CID 51080282) is N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NCC(O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
The InChIKey is CVIZBSDFCIFYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11(22)20-12-6-8-13(9-7-12)21-17(24)19-10-16(23)14-4-2-3-5-15(14)18/h2-9,16,23H,10H2,1H3,(H,20,22)(H2,19,21,24).
What are the key properties of N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide?
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide has a molecular weight of 331.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 51080282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).