1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea

C18H19BrN2O3 — CID 92713615

IUPAC1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
SMILESCOc1ccc2c(c1)C[C@H](NC(=O)Nc1ccc(C)cc1Br)CO2
InChIInChI=1S/C18H19BrN2O3/c1-11-3-5-16(15(19)7-11)21-18(22)20-13-8-12-9-14(23-2)4-6-17(12)24-10-13/h3-7,9,13H,8,10H2,1-2H3,(H2,20,21,22)/t13-/m0/s1
InChIKeyMTKGJMPFSDOCDI-ZDUSSCGKSA-N
MW391.27 g/mol
LogP3.89
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea

1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea (PubChem CID 92713615) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
PubChem CID92713615
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
SMILESCOc1ccc2c(c1)C[C@H](NC(=O)Nc1ccc(C)cc1Br)CO2
InChIInChI=1S/C18H19BrN2O3/c1-11-3-5-16(15(19)7-11)21-18(22)20-13-8-12-9-14(23-2)4-6-17(12)24-10-13/h3-7,9,13H,8,10H2,1-2H3,(H2,20,21,22)/t13-/m0/s1
InChIKeyMTKGJMPFSDOCDI-ZDUSSCGKSA-N
XLogP3.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]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-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2-methylphenyl)urea
CID 92713604
1-cycloheptyl-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580903
1-(4-ethylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713597
1-(4-ethoxyphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580920
N-[2-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]-4-methylphenyl]acetamide
CID 95117197
1-(3-acetylphenyl)-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580936
1-[(2,4-dimethoxyphenyl)methyl]-3-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)urea
CID 22580982
(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713276
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3-(5-chloro-6-methoxy-3-pyridinyl)urea
CID 162649315

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea (CID 92713615) is 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea is COc1ccc2c(c1)C[C@H](NC(=O)Nc1ccc(C)cc1Br)CO2.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
The InChIKey is MTKGJMPFSDOCDI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11-3-5-16(15(19)7-11)21-18(22)20-13-8-12-9-14(23-2)4-6-17(12)24-10-13/h3-7,9,13H,8,10H2,1-2H3,(H2,20,21,22)/t13-/m0/s1.
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea?
1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea has a molecular weight of 391.27 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[(3S)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]urea is sourced from PubChem (CID 92713615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).