1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C17H16Cl2N2O2 — CID 108874450

IUPAC1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-4-12(5-3-11)16(22)8-9-20-17(23)21-15-7-6-13(18)10-14(15)19/h2-7,10H,8-9H2,1H3,(H2,20,21,23)
InChIKeyHHGDQKGRABGIAF-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.70
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874450) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874450
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-2-4-12(5-3-11)16(22)8-9-20-17(23)21-15-7-6-13(18)10-14(15)19/h2-7,10H,8-9H2,1H3,(H2,20,21,23)
InChIKeyHHGDQKGRABGIAF-UHFFFAOYSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874556
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874436
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86883923
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
7-[(2-chloro-4-methylphenyl)carbamoylamino]heptanoic acid
CID 61196309
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874450) is 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)Nc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is HHGDQKGRABGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-2-4-12(5-3-11)16(22)8-9-20-17(23)21-15-7-6-13(18)10-14(15)19/h2-7,10H,8-9H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 351.23 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).