3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea

C19H21ClN2O3 — CID 88724929

IUPAC3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-22(24-2)19(23)21-15-8-10-18(17(20)12-15)25-16-9-7-13-5-3-4-6-14(13)11-16/h7-12H,3-6H2,1-2H3,(H,21,23)
InChIKeyQXFHUCARVHJZRR-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.04
Rot. Bonds4

About 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea

3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea (PubChem CID 88724929) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea
PubChem CID88724929
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea
SMILESCON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-22(24-2)19(23)21-15-8-10-18(17(20)12-15)25-16-9-7-13-5-3-4-6-14(13)11-16/h7-12H,3-6H2,1-2H3,(H,21,23)
InChIKeyQXFHUCARVHJZRR-UHFFFAOYSA-N
XLogP5.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide
CID 139760288
1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
CID 81152018
N-[[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]ethanamine
CID 81152008
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 7942948
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
3-[3-chloro-4-(2-methylbut-3-yn-2-yloxymethoxy)phenyl]-1-methoxy-1-methylurea
CID 88820793
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
N-(3-chloro-4-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24536423
2,3-dihydro-1H-inden-5-yl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4146627
3-[3-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12801927

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea?
The IUPAC name of 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea (CID 88724929) is 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea.
What is the SMILES notation for 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea?
The canonical SMILES for 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea is CON(C)C(=O)Nc1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea?
The InChIKey is QXFHUCARVHJZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-22(24-2)19(23)21-15-8-10-18(17(20)12-15)25-16-9-7-13-5-3-4-6-14(13)11-16/h7-12H,3-6H2,1-2H3,(H,21,23).
What are the key properties of 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea?
3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea has a molecular weight of 360.84 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-1-methoxy-1-methylurea is sourced from PubChem (CID 88724929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).