1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea

C17H22F2N2O3 — CID 111424952

IUPAC1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H22F2N2O3/c18-16(19)24-13-7-5-10(6-8-13)14(22)9-20-17(23)21-15(11-1-2-11)12-3-4-12/h5-8,11-12,14-16,22H,1-4,9H2,(H2,20,21,23)
InChIKeyIMKDFZFUALJKES-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.81
Rot. Bonds8

About 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea

1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea (PubChem CID 111424952) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea
PubChem CID111424952
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea
SMILESO=C(NCC(O)c1ccc(OC(F)F)cc1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H22F2N2O3/c18-16(19)24-13-7-5-10(6-8-13)14(22)9-20-17(23)21-15(11-1-2-11)12-3-4-12/h5-8,11-12,14-16,22H,1-4,9H2,(H2,20,21,23)
InChIKeyIMKDFZFUALJKES-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
2-[cyclopropyl(methyl)amino]-N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]acetamide
CID 111424720
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
CID 111103979
2-cyclohexyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65145450
5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
CID 95771032
1-[4-(difluoromethoxy)phenyl]-3-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]urea
CID 95774476
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 111424709
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-methylbenzamide
CID 111424679
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458227
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea (CID 111424952) is 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea is O=C(NCC(O)c1ccc(OC(F)F)cc1)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea?
The InChIKey is IMKDFZFUALJKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-16(19)24-13-7-5-10(6-8-13)14(22)9-20-17(23)21-15(11-1-2-11)12-3-4-12/h5-8,11-12,14-16,22H,1-4,9H2,(H2,20,21,23).
What are the key properties of 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea?
1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea has a molecular weight of 340.37 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]urea is sourced from PubChem (CID 111424952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).