1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea

C22H17Cl2N3O3 — CID 18673943

IUPAC1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Oc2cccc3c2CCCC3=O)nc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2N3O3/c23-17-9-7-13(11-18(17)24)26-22(29)27-14-8-10-21(25-12-14)30-20-6-2-3-15-16(20)4-1-5-19(15)28/h2-3,6-12H,1,4-5H2,(H2,26,27,29)
InChIKeyYVKOPRAVMRWLNB-UHFFFAOYSA-N
MW442.30 g/mol
LogP6.34
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea

1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea (PubChem CID 18673943) has the molecular formula C22H17Cl2N3O3 and a molecular weight of 442.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea
PubChem CID18673943
Molecular FormulaC22H17Cl2N3O3
Molecular Weight442.30 g/mol
Exact Mass441.06
IUPAC Name1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea
SMILESO=C(Nc1ccc(Oc2cccc3c2CCCC3=O)nc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H17Cl2N3O3/c23-17-9-7-13(11-18(17)24)26-22(29)27-14-8-10-21(25-12-14)30-20-6-2-3-15-16(20)4-1-5-19(15)28/h2-3,6-12H,1,4-5H2,(H2,26,27,29)
InChIKeyYVKOPRAVMRWLNB-UHFFFAOYSA-N
XLogP6.34
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide
CID 18673893
3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
CID 87952683
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230
5-[3-[(2-chlorophenyl)carbamoylamino]-4-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]phenyl]-2-methoxybenzoic acid
CID 121332718
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
CID 2239305
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea (CID 18673943) is 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea is O=C(Nc1ccc(Oc2cccc3c2CCCC3=O)nc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea?
The InChIKey is YVKOPRAVMRWLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3/c23-17-9-7-13(11-18(17)24)26-22(29)27-14-8-10-21(25-12-14)30-20-6-2-3-15-16(20)4-1-5-19(15)28/h2-3,6-12H,1,4-5H2,(H2,26,27,29).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea?
1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea has a molecular weight of 442.30 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea is sourced from PubChem (CID 18673943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).