1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea

C17H25F2N3O2 — CID 111450631

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
SMILESCC(C)N(CCNC(=O)NCC(O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C17H25F2N3O2/c1-11(2)22(12-6-7-12)9-8-20-17(24)21-10-15(23)16-13(18)4-3-5-14(16)19/h3-5,11-12,15,23H,6-10H2,1-2H3,(H2,20,21,24)
InChIKeyZMKLFJVCKXDYNQ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.17
Rot. Bonds8

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea (PubChem CID 111450631) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
PubChem CID111450631
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
SMILESCC(C)N(CCNC(=O)NCC(O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C17H25F2N3O2/c1-11(2)22(12-6-7-12)9-8-20-17(24)21-10-15(23)16-13(18)4-3-5-14(16)19/h3-5,11-12,15,23H,6-10H2,1-2H3,(H2,20,21,24)
InChIKeyZMKLFJVCKXDYNQ-UHFFFAOYSA-N
XLogP2.17
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea with MolForge

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Related Compounds

1-butyl-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450361
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide
CID 86797686
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
CID 111337403
1-(2-tert-butylsulfinylethyl)-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450691
1-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 95775482
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111482933
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 86887365
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362209
1-(2,6-difluorophenyl)-2-[2-[di(propan-2-yl)amino]ethylamino]ethanol
CID 60898591
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111453237
(Z)-3-cyclopropyl-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]but-2-enamide
CID 111451278

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea (CID 111450631) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea is CC(C)N(CCNC(=O)NCC(O)c1c(F)cccc1F)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is ZMKLFJVCKXDYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-11(2)22(12-6-7-12)9-8-20-17(24)21-10-15(23)16-13(18)4-3-5-14(16)19/h3-5,11-12,15,23H,6-10H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 341.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 111450631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).