1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea

C17H22F2N2O3 — CID 111103979

IUPAC1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
SMILESO=C(NCC(O)COc1ccc(F)c(F)c1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H22F2N2O3/c18-14-6-5-13(7-15(14)19)24-9-12(22)8-20-17(23)21-16(10-1-2-10)11-3-4-11/h5-7,10-12,16,22H,1-4,8-9H2,(H2,20,21,23)
InChIKeyBISZXIOMFABNCV-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.19
Rot. Bonds8

About 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea

1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea (PubChem CID 111103979) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
PubChem CID111103979
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
SMILESO=C(NCC(O)COc1ccc(F)c(F)c1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H22F2N2O3/c18-14-6-5-13(7-15(14)19)24-9-12(22)8-20-17(23)21-16(10-1-2-10)11-3-4-11/h5-7,10-12,16,22H,1-4,8-9H2,(H2,20,21,23)
InChIKeyBISZXIOMFABNCV-UHFFFAOYSA-N
XLogP2.19
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
CID 119319070
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
CID 71849233
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
CID 167969333

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea (CID 111103979) is 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea is O=C(NCC(O)COc1ccc(F)c(F)c1)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea?
The InChIKey is BISZXIOMFABNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-14-6-5-13(7-15(14)19)24-9-12(22)8-20-17(23)21-16(10-1-2-10)11-3-4-11/h5-7,10-12,16,22H,1-4,8-9H2,(H2,20,21,23).
What are the key properties of 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea?
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea has a molecular weight of 340.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 111103979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).