1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C17H17ClN2O2 — CID 108874536

IUPAC1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-2-4-13(5-3-12)16(21)10-11-19-17(22)20-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H2,19,20,22)
InChIKeyFBBUJUNPXLAHNL-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.04
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874536) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874536
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-12-2-4-13(5-3-12)16(21)10-11-19-17(22)20-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H2,19,20,22)
InChIKeyFBBUJUNPXLAHNL-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874450
1-(5-chloro-2-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874556
1-(4-chloro-3-nitrophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874513
1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874418
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874436
1-(3-amino-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 62667276
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874536) is 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is FBBUJUNPXLAHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-2-4-13(5-3-12)16(21)10-11-19-17(22)20-15-8-6-14(18)7-9-15/h2-9H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 316.79 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).