1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea

C14H16F4N2O2 — CID 71858397

IUPAC1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
SMILESCc1c(NC(=O)N(CC(F)F)C2CC2)cccc1OC(F)F
InChIInChI=1S/C14H16F4N2O2/c1-8-10(3-2-4-11(8)22-13(17)18)19-14(21)20(7-12(15)16)9-5-6-9/h2-4,9,12-13H,5-7H2,1H3,(H,19,21)
InChIKeyBPDPCHCSDWGLAO-UHFFFAOYSA-N
MW320.29 g/mol
LogP3.86
Rot. Bonds6

About 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea

1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea (PubChem CID 71858397) has the molecular formula C14H16F4N2O2 and a molecular weight of 320.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
PubChem CID71858397
Molecular FormulaC14H16F4N2O2
Molecular Weight320.29 g/mol
Exact Mass320.11
IUPAC Name1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
SMILESCc1c(NC(=O)N(CC(F)F)C2CC2)cccc1OC(F)F
InChIInChI=1S/C14H16F4N2O2/c1-8-10(3-2-4-11(8)22-13(17)18)19-14(21)20(7-12(15)16)9-5-6-9/h2-4,9,12-13H,5-7H2,1H3,(H,19,21)
InChIKeyBPDPCHCSDWGLAO-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-(2,2-difluoroethyl)-3-(1H-indol-4-yl)urea
CID 71854684
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62949238
(3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98349201
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 75427281
cis-(1R,3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52526871
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51134313
1-[3-(difluoromethoxy)-2-methylphenyl]-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95698018
2-(cyclopropylmethoxy)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 86846916
1-cyclopropyl-3-(2,3-dimethylphenyl)-1-(4-hydroxybutyl)urea
CID 111754137
1,3-bis(difluoromethoxy)-2-methylbenzene;ethane
CID 145191188
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea?
The IUPAC name of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea (CID 71858397) is 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea is Cc1c(NC(=O)N(CC(F)F)C2CC2)cccc1OC(F)F.
What is the InChIKey of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea?
The InChIKey is BPDPCHCSDWGLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O2/c1-8-10(3-2-4-11(8)22-13(17)18)19-14(21)20(7-12(15)16)9-5-6-9/h2-4,9,12-13H,5-7H2,1H3,(H,19,21).
What are the key properties of 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea?
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea has a molecular weight of 320.29 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea is sourced from PubChem (CID 71858397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).