1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea

C15H19F3N2O3 — CID 94797817

IUPAC1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NC[C@H](O)COCC1CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-3-5-12(6-4-11)20-14(22)19-7-13(21)9-23-8-10-1-2-10/h3-6,10,13,21H,1-2,7-9H2,(H2,19,20,22)/t13-/m0/s1
InChIKeyVIAHANIHYHWAMU-ZDUSSCGKSA-N
MW332.32 g/mol
LogP2.61
Rot. Bonds7

About 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 94797817) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID94797817
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(NC[C@H](O)COCC1CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-3-5-12(6-4-11)20-14(22)19-7-13(21)9-23-8-10-1-2-10/h3-6,10,13,21H,1-2,7-9H2,(H2,19,20,22)/t13-/m0/s1
InChIKeyVIAHANIHYHWAMU-ZDUSSCGKSA-N
XLogP2.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94798536
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-(2-amino-2-cyclopropylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63767514
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]urea
CID 167815203
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
CID 111474965
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 111697759
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 94797817) is 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(NC[C@H](O)COCC1CC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is VIAHANIHYHWAMU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)11-3-5-12(6-4-11)20-14(22)19-7-13(21)9-23-8-10-1-2-10/h3-6,10,13,21H,1-2,7-9H2,(H2,19,20,22)/t13-/m0/s1.
What are the key properties of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 332.32 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 94797817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).