1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea

C18H20FN3O2 — CID 95961521

IUPAC1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea
SMILESC[C@H](NC(=O)N(C)C1CC1)c1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C18H20FN3O2/c1-12(21-18(23)22(2)14-6-7-14)13-5-8-17(16(19)10-13)24-15-4-3-9-20-11-15/h3-5,8-12,14H,6-7H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyXFFGYKPKZAUDJU-LBPRGKRZSA-N
MW329.38 g/mol
LogP3.88
Rot. Bonds5

About 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea

1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea (PubChem CID 95961521) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea
PubChem CID95961521
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea
SMILESC[C@H](NC(=O)N(C)C1CC1)c1ccc(Oc2cccnc2)c(F)c1
InChIInChI=1S/C18H20FN3O2/c1-12(21-18(23)22(2)14-6-7-14)13-5-8-17(16(19)10-13)24-15-4-3-9-20-11-15/h3-5,8-12,14H,6-7H2,1-2H3,(H,21,23)/t12-/m0/s1
InChIKeyXFFGYKPKZAUDJU-LBPRGKRZSA-N
XLogP3.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea with MolForge

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Related Compounds

2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100642402
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498
(E)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 38091744
3-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 94184140
3-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-1-methylurea
CID 94184138
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292625
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 97320644
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119729502
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864547
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
CID 62912252

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea (CID 95961521) is 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea is C[C@H](NC(=O)N(C)C1CC1)c1ccc(Oc2cccnc2)c(F)c1.
What is the InChIKey of 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea?
The InChIKey is XFFGYKPKZAUDJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12(21-18(23)22(2)14-6-7-14)13-5-8-17(16(19)10-13)24-15-4-3-9-20-11-15/h3-5,8-12,14H,6-7H2,1-2H3,(H,21,23)/t12-/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea?
1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea has a molecular weight of 329.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 95961521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).