1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea

C19H22F2N2O — CID 164639836

IUPAC1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea
SMILESCC(C)(CNC(=O)N[C@H]1C[C@H]1C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C19H22F2N2O/c1-19(2,11-22-18(24)23-16-10-15(16)17(20)21)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-17H,10-11H2,1-2H3,(H2,22,23,24)/t15-,16+/m1/s1
InChIKeyFAVWQDLJYBLMKM-CVEARBPZSA-N
MW332.39 g/mol
LogP4.07
Rot. Bonds5

About 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea

1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea (PubChem CID 164639836) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea
PubChem CID164639836
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea
SMILESCC(C)(CNC(=O)N[C@H]1C[C@H]1C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C19H22F2N2O/c1-19(2,11-22-18(24)23-16-10-15(16)17(20)21)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-17H,10-11H2,1-2H3,(H2,22,23,24)/t15-,16+/m1/s1
InChIKeyFAVWQDLJYBLMKM-CVEARBPZSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-Dimethyl-3-[4-[2-[(2-naphthalen-1-ylcyclopropyl)methylamino]ethyl]cyclohexyl]urea
CID 164624917
1-Methyl-3-(2-naphthalen-1-ylethyl)urea
CID 44358896
1-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-3-cyclohexylurea
CID 155527697
1-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-3-ethylurea
CID 155549764
1-Benzyl-3-(1-naphthalen-2-ylethyl)urea
CID 45856310
1-(3-Amino-2,2-dimethylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 172435103
1-[(1,4a-Dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-3-tert-butylurea
CID 2803128
1-[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-3-propan-2-ylurea
CID 25130109
1-[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]-3-(2-phenylethyl)urea
CID 53387024
1-(2-Fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
CID 59012228
1-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-propan-2-ylurea
CID 59459488
(1R)-N-(2,2-dimethylcyclopropyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59536275

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea?
The IUPAC name of 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea (CID 164639836) is 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea?
The canonical SMILES for 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea is CC(C)(CNC(=O)N[C@H]1C[C@H]1C(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea?
The InChIKey is FAVWQDLJYBLMKM-CVEARBPZSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-19(2,11-22-18(24)23-16-10-15(16)17(20)21)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15-17H,10-11H2,1-2H3,(H2,22,23,24)/t15-,16+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea?
1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea has a molecular weight of 332.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(difluoromethyl)cyclopropyl]-3-(2-methyl-2-naphthalen-2-ylpropyl)urea is sourced from PubChem (CID 164639836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).