1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea

C19H22ClN3O2 — CID 166834962

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-15-5-3-14(4-6-15)12-22-19(24)23-16-7-9-17(10-8-16)25-18-2-1-11-21-13-18/h1-6,11,13,16-17H,7-10,12H2,(H2,22,23,24)
InChIKeyWIMDVNFLCZFBCJ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.92
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea

1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea (PubChem CID 166834962) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
PubChem CID166834962
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-15-5-3-14(4-6-15)12-22-19(24)23-16-7-9-17(10-8-16)25-18-2-1-11-21-13-18/h1-6,11,13,16-17H,7-10,12H2,(H2,22,23,24)
InChIKeyWIMDVNFLCZFBCJ-UHFFFAOYSA-N
XLogP3.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea
CID 166834841
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
N-[(4-chlorophenyl)methyl]-5-pyridin-3-yloxy-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171141575
1-[(4-chlorophenyl)methyl]-3-[4-[(2-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834992
1-[(4-chlorophenyl)methyl]-3-[4-[(6-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834993
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
CID 170159287
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901
1-[(4-chlorophenyl)methyl]-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 95983968
1-[(4-chlorophenyl)methyl]-3-[6-[[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]spiro[3.3]heptan-2-yl]urea
CID 169317883
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea (CID 166834962) is 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea is O=C(NCc1ccc(Cl)cc1)NC1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea?
The InChIKey is WIMDVNFLCZFBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-15-5-3-14(4-6-15)12-22-19(24)23-16-7-9-17(10-8-16)25-18-2-1-11-21-13-18/h1-6,11,13,16-17H,7-10,12H2,(H2,22,23,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea?
1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea has a molecular weight of 359.86 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea is sourced from PubChem (CID 166834962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).