1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea

C14H19ClN2O2 — CID 108914572

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
SMILESCOc1ccc(NC(=O)N/C=C(\C)C(C)C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-9(2)10(3)8-16-14(18)17-11-5-6-13(19-4)12(15)7-11/h5-9H,1-4H3,(H2,16,17,18)/b10-8+
InChIKeyHANSUWCRCUPSFP-CSKARUKUSA-N
MW282.77 g/mol
LogP4.03
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea

1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea (PubChem CID 108914572) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
PubChem CID108914572
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
SMILESCOc1ccc(NC(=O)N/C=C(\C)C(C)C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-9(2)10(3)8-16-14(18)17-11-5-6-13(19-4)12(15)7-11/h5-9H,1-4H3,(H2,16,17,18)/b10-8+
InChIKeyHANSUWCRCUPSFP-CSKARUKUSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914663
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
1-(3-chloro-4-methoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913080
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
1-(3-chloro-4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886279
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea (CID 108914572) is 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea is COc1ccc(NC(=O)N/C=C(\C)C(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea?
The InChIKey is HANSUWCRCUPSFP-CSKARUKUSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(2)10(3)8-16-14(18)17-11-5-6-13(19-4)12(15)7-11/h5-9H,1-4H3,(H2,16,17,18)/b10-8+.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea has a molecular weight of 282.77 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea is sourced from PubChem (CID 108914572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).