3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea

C19H21ClN2O2 — CID 12760590

IUPAC3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea
SMILESCc1ccc(/C=C/COc2ccc(NC(=O)N(C)C)cc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-8-15(9-7-14)5-4-12-24-18-11-10-16(13-17(18)20)21-19(23)22(2)3/h4-11,13H,12H2,1-3H3,(H,21,23)/b5-4+
InChIKeyCGEYLYYYPZNQOV-SNAWJCMRSA-N
MW344.84 g/mol
LogP4.83
Rot. Bonds5

About 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea

3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea (PubChem CID 12760590) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea
PubChem CID12760590
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea
SMILESCc1ccc(/C=C/COc2ccc(NC(=O)N(C)C)cc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-8-15(9-7-14)5-4-12-24-18-11-10-16(13-17(18)20)21-19(23)22(2)3/h4-11,13H,12H2,1-3H3,(H,21,23)/b5-4+
InChIKeyCGEYLYYYPZNQOV-SNAWJCMRSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
3-[3-chloro-4-(7-phenylheptoxy)phenyl]-1,1-dimethylurea
CID 20566600
3-[4-(3-bromo-3-phenylpropoxy)-3-chlorophenyl]-1,1-dimethylurea
CID 54097189
3-[4-[(E)-but-2-enyl]sulfanyl-3-chlorophenyl]-1,1-dimethylurea
CID 12833182
3-chloro-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 76914544
3-[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methoxy]-3-chlorophenyl]-1,1-dimethylurea
CID 122174322
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
3-[3-chloro-4-[1-(2-methylphenyl)propoxy]phenyl]-1,1-dimethylurea
CID 20566590
N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
N'-[(Z)-[3-chloro-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126161438

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea (CID 12760590) is 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea is Cc1ccc(/C=C/COc2ccc(NC(=O)N(C)C)cc2Cl)cc1.
What is the InChIKey of 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea?
The InChIKey is CGEYLYYYPZNQOV-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-6-8-15(9-7-14)5-4-12-24-18-11-10-16(13-17(18)20)21-19(23)22(2)3/h4-11,13H,12H2,1-3H3,(H,21,23)/b5-4+.
What are the key properties of 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea?
3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea has a molecular weight of 344.84 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[(E)-3-(4-methylphenyl)prop-2-enoxy]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 12760590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).