1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea

C19H21ClFN3O2 — CID 121499125

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea
SMILESCC(CNC(=O)N(Cc1c(F)cccc1Cl)C1CC1)Oc1cccnc1
InChIInChI=1S/C19H21ClFN3O2/c1-13(26-15-4-3-9-22-11-15)10-23-19(25)24(14-7-8-14)12-16-17(20)5-2-6-18(16)21/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,23,25)
InChIKeyWJNIONVSNNUMIL-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.02
Rot. Bonds7

About 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea

1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea (PubChem CID 121499125) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea
PubChem CID121499125
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea
SMILESCC(CNC(=O)N(Cc1c(F)cccc1Cl)C1CC1)Oc1cccnc1
InChIInChI=1S/C19H21ClFN3O2/c1-13(26-15-4-3-9-22-11-15)10-23-19(25)24(14-7-8-14)12-16-17(20)5-2-6-18(16)21/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,23,25)
InChIKeyWJNIONVSNNUMIL-UHFFFAOYSA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 122570529
4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]amino]-N,N-dimethylbutanamide
CID 122568629
1-cyclopropyl-3-[2-(3-fluorophenoxy)propyl]-1-(2-hydroxyethyl)urea
CID 111508451
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methoxypyridine-3-carboxamide
CID 134003236
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(3-pyrazol-1-ylpropyl)urea
CID 121494478
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-methylpropanamide
CID 55104653
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazole-1-carboxamide
CID 112722748
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46536550
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17393832
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea (CID 121499125) is 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea is CC(CNC(=O)N(Cc1c(F)cccc1Cl)C1CC1)Oc1cccnc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea?
The InChIKey is WJNIONVSNNUMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-13(26-15-4-3-9-22-11-15)10-23-19(25)24(14-7-8-14)12-16-17(20)5-2-6-18(16)21/h2-6,9,11,13-14H,7-8,10,12H2,1H3,(H,23,25).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea?
1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea has a molecular weight of 377.85 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropyl-3-(2-pyridin-3-yloxypropyl)urea is sourced from PubChem (CID 121499125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).