1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

C18H21BrN2O3 — CID 55695604

IUPAC1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H21BrN2O3/c1-11-9-13(19)5-7-16(11)21-18(22)20-12(2)15-10-14(23-3)6-8-17(15)24-4/h5-10,12H,1-4H3,(H2,20,21,22)
InChIKeyKPVMURPYANGGSX-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.66
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea

1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (PubChem CID 55695604) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
PubChem CID55695604
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(OC)c(C(C)NC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H21BrN2O3/c1-11-9-13(19)5-7-16(11)21-18(22)20-12(2)15-10-14(23-3)6-8-17(15)24-4/h5-10,12H,1-4H3,(H2,20,21,22)
InChIKeyKPVMURPYANGGSX-UHFFFAOYSA-N
XLogP4.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]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-(4-bromo-2-chlorophenyl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 1298550
1-(3-bromophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55696724
1-(2,4-difluorophenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 2955398
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
2-(3-bromophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100702613
2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]carbamoylamino]propanediamide
CID 94056542
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
2-[(4-bromo-2-methylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 61181562

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea (CID 55695604) is 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is COc1ccc(OC)c(C(C)NC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
The InChIKey is KPVMURPYANGGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-11-9-13(19)5-7-16(11)21-18(22)20-12(2)15-10-14(23-3)6-8-17(15)24-4/h5-10,12H,1-4H3,(H2,20,21,22).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea?
1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea has a molecular weight of 393.28 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-[1-(2,5-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 55695604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).