1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C18H19BrN2O2 — CID 108874750

IUPAC1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-13-5-7-15(8-6-13)17(22)9-10-20-18(23)21-12-14-3-2-4-16(19)11-14/h2-8,11H,9-10,12H2,1H3,(H2,20,21,23)
InChIKeyKRVKAOIVINXBCL-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.83
Rot. Bonds6

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

1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874750) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874750
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-13-5-7-15(8-6-13)17(22)9-10-20-18(23)21-12-14-3-2-4-16(19)11-14/h2-8,11H,9-10,12H2,1H3,(H2,20,21,23)
InChIKeyKRVKAOIVINXBCL-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-methylphenyl)-3-oxopropyl]-3-(pyridin-4-ylmethyl)urea
CID 108874547
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[(3-bromophenyl)methyl]-3-(2-cyanoethyl)urea
CID 108899023
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[(3-methylphenyl)methyl]-3-(3-oxobutyl)urea
CID 108895266
1-[2-(3-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971155
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
1-[(3-bromophenyl)methyl]-3-(3-ethoxypropyl)urea
CID 108898807
1-[(3-bromophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 108898959
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874750) is 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is KRVKAOIVINXBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-13-5-7-15(8-6-13)17(22)9-10-20-18(23)21-12-14-3-2-4-16(19)11-14/h2-8,11H,9-10,12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 375.27 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).