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

C18H19ClN2O2 — CID 108874436

IUPAC1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-6-8-14(9-7-12)17(22)10-11-20-18(23)21-16-5-3-4-15(19)13(16)2/h3-9H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyRJYKGUZGVVMELZ-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.35
Rot. Bonds5

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

1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874436) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874436
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-6-8-14(9-7-12)17(22)10-11-20-18(23)21-16-5-3-4-15(19)13(16)2/h3-9H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyRJYKGUZGVVMELZ-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874450
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
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-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874721
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874418
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874436) is 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is RJYKGUZGVVMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-6-8-14(9-7-12)17(22)10-11-20-18(23)21-16-5-3-4-15(19)13(16)2/h3-9H,10-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 330.82 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).