1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea

C16H13ClF2N2O — CID 97077156

IUPAC1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea
SMILESO=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F
InChIInChI=1S/C16H13ClF2N2O/c17-9-3-1-4-10(7-9)20-16(22)21-14-8-11(14)15-12(18)5-2-6-13(15)19/h1-7,11,14H,8H2,(H2,20,21,22)/t11-,14+/m0/s1
InChIKeyLLDPMJZKMYPPMK-SMDDNHRTSA-N
MW322.74 g/mol
LogP4.30
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea

1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea (PubChem CID 97077156) has the molecular formula C16H13ClF2N2O and a molecular weight of 322.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea
PubChem CID97077156
Molecular FormulaC16H13ClF2N2O
Molecular Weight322.74 g/mol
Exact Mass322.07
IUPAC Name1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea
SMILESO=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F
InChIInChI=1S/C16H13ClF2N2O/c17-9-3-1-4-10(7-9)20-16(22)21-14-8-11(14)15-12(18)5-2-6-13(15)19/h1-7,11,14H,8H2,(H2,20,21,22)/t11-,14+/m0/s1
InChIKeyLLDPMJZKMYPPMK-SMDDNHRTSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
1-[2-(2,6-difluorophenyl)cyclopropyl]-3-(4-hydroxycyclohexyl)urea
CID 111422308
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810588
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-3-[4-(dimethylamino)phenyl]urea
CID 99810586
(4R)-N-(3-chlorophenyl)-4-(2,6-difluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 8812872
1-(5-chloro-2-pyridinyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
CID 3001036
3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide
CID 71986245

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea (CID 97077156) is 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea is O=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@@H]1c1c(F)cccc1F.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea?
The InChIKey is LLDPMJZKMYPPMK-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H13ClF2N2O/c17-9-3-1-4-10(7-9)20-16(22)21-14-8-11(14)15-12(18)5-2-6-13(15)19/h1-7,11,14H,8H2,(H2,20,21,22)/t11-,14+/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea?
1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea has a molecular weight of 322.74 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea is sourced from PubChem (CID 97077156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).