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

C14H19FN2O3 — CID 94801888

IUPAC1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
SMILESO=C(NC[C@H](O)COCC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c15-11-3-5-12(6-4-11)17-14(19)16-7-13(18)9-20-8-10-1-2-10/h3-6,10,13,18H,1-2,7-9H2,(H2,16,17,19)/t13-/m0/s1
InChIKeyQKAMDUOUSORXRB-ZDUSSCGKSA-N
MW282.31 g/mol
LogP1.73
Rot. Bonds7

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

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea (PubChem CID 94801888) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
PubChem CID94801888
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
SMILESO=C(NC[C@H](O)COCC1CC1)Nc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c15-11-3-5-12(6-4-11)17-14(19)16-7-13(18)9-20-8-10-1-2-10/h3-6,10,13,18H,1-2,7-9H2,(H2,16,17,19)/t13-/m0/s1
InChIKeyQKAMDUOUSORXRB-ZDUSSCGKSA-N
XLogP1.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94798536
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 111662870
cis-(1R,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96570636
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
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea (CID 94801888) is 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea is O=C(NC[C@H](O)COCC1CC1)Nc1ccc(F)cc1.
What is the InChIKey of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea?
The InChIKey is QKAMDUOUSORXRB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O3/c15-11-3-5-12(6-4-11)17-14(19)16-7-13(18)9-20-8-10-1-2-10/h3-6,10,13,18H,1-2,7-9H2,(H2,16,17,19)/t13-/m0/s1.
What are the key properties of 1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea?
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea has a molecular weight of 282.31 g/mol, XLogP of 1.73, 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-fluorophenyl)urea is sourced from PubChem (CID 94801888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).