1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

C14H19F3N2O2 — CID 110890023

IUPAC1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCCC(CO)NC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-12(9-20)19-13(21)18-8-7-10-3-5-11(6-4-10)14(15,16)17/h3-6,12,20H,2,7-9H2,1H3,(H2,18,19,21)
InChIKeyOYARKTFMQICFCN-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.32
Rot. Bonds6

About 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 110890023) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID110890023
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCCC(CO)NC(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-2-12(9-20)19-13(21)18-8-7-10-3-5-11(6-4-10)14(15,16)17/h3-6,12,20H,2,7-9H2,1H3,(H2,18,19,21)
InChIKeyOYARKTFMQICFCN-UHFFFAOYSA-N
XLogP2.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 108902377
1-pentan-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134001787
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 162721230
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
4-[[[(2R)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020873
4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]benzoic acid
CID 122020693
N-[2-(4-fluorophenyl)ethyl]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 25109287
1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
CID 110892453

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 110890023) is 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is CCC(CO)NC(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is OYARKTFMQICFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-12(9-20)19-13(21)18-8-7-10-3-5-11(6-4-10)14(15,16)17/h3-6,12,20H,2,7-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 304.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 110890023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).