1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea

C21H17Cl2N3O2 — CID 10251199

IUPAC1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea
SMILESO=C(Nc1cccc(Cl)c1Cl)NC1(c2cccc(Oc3ccncc3)c2)CC1
InChIInChI=1S/C21H17Cl2N3O2/c22-17-5-2-6-18(19(17)23)25-20(27)26-21(9-10-21)14-3-1-4-16(13-14)28-15-7-11-24-12-8-15/h1-8,11-13H,9-10H2,(H2,25,26,27)
InChIKeyGAOVDIYOOYKVPC-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.99
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea

1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea (PubChem CID 10251199) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea
PubChem CID10251199
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC Name1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea
SMILESO=C(Nc1cccc(Cl)c1Cl)NC1(c2cccc(Oc3ccncc3)c2)CC1
InChIInChI=1S/C21H17Cl2N3O2/c22-17-5-2-6-18(19(17)23)25-20(27)26-21(9-10-21)14-3-1-4-16(13-14)28-15-7-11-24-12-8-15/h1-8,11-13H,9-10H2,(H2,25,26,27)
InChIKeyGAOVDIYOOYKVPC-UHFFFAOYSA-N
XLogP5.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
1-(2,4-dichlorophenyl)-3-[(3-pyridin-4-yloxyphenyl)methyl]urea
CID 10045778
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
1-(2,3-dichlorophenyl)-3-pyridin-3-ylurea
CID 51062925
N-(2,3-dichlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443246
N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide
CID 56556972
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-N'-(2,3-dichlorophenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977068
[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2625888
N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119565137

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea (CID 10251199) is 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea is O=C(Nc1cccc(Cl)c1Cl)NC1(c2cccc(Oc3ccncc3)c2)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea?
The InChIKey is GAOVDIYOOYKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c22-17-5-2-6-18(19(17)23)25-20(27)26-21(9-10-21)14-3-1-4-16(13-14)28-15-7-11-24-12-8-15/h1-8,11-13H,9-10H2,(H2,25,26,27).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea?
1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea has a molecular weight of 414.29 g/mol, XLogP of 5.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea is sourced from PubChem (CID 10251199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).