1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea

C10H11F3N2O — CID 47173418

IUPAC1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
SMILESCC(C)NC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3N2O/c1-5(2)14-10(16)15-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyXJDSAJIQZTWDLJ-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.63
Rot. Bonds2

About 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea

1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea (PubChem CID 47173418) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
PubChem CID47173418
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
SMILESCC(C)NC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3N2O/c1-5(2)14-10(16)15-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyXJDSAJIQZTWDLJ-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
1-pentan-3-yl-3-(2,3,4-trifluorophenyl)urea
CID 47132828
1-propan-2-yl-3-(2,3,4-trifluorophenyl)thiourea
CID 7991832
(2R)-3,3-dimethyl-2-[(2,3,4-trifluorophenyl)carbamoylamino]butanoic acid
CID 103927487
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(2,3,4-trifluorophenyl)urea
CID 111452632
(2S)-2-(azocan-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655376
(2S)-2-(azocan-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655375
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
1-(3-hydroxy-4-methylpentyl)-3-(2,3,4-trifluorophenyl)urea
CID 111472896

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea (CID 47173418) is 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea is CC(C)NC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is XJDSAJIQZTWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5(2)14-10(16)15-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea?
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 232.20 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 47173418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).