1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea

C18H21BrN2O2 — CID 55792899

IUPAC1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCc1ccc(Br)cc1NC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21BrN2O2/c1-12(2)23-16-8-5-14(6-9-16)11-20-18(22)21-17-10-15(19)7-4-13(17)3/h4-10,12H,11H2,1-3H3,(H2,20,21,22)
InChIKeyDSOGAKHUAZCJDF-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.87
Rot. Bonds5

About 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea

1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea (PubChem CID 55792899) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
PubChem CID55792899
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCc1ccc(Br)cc1NC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H21BrN2O2/c1-12(2)23-16-8-5-14(6-9-16)11-20-18(22)21-17-10-15(19)7-4-13(17)3/h4-10,12H,11H2,1-3H3,(H2,20,21,22)
InChIKeyDSOGAKHUAZCJDF-UHFFFAOYSA-N
XLogP4.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3790845
4-bromo-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 43226476
1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
N-(2,5-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845352
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide
CID 55738794
3-[[amino-(4-propan-2-yloxyanilino)methylidene]amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 111094261
1-(4-bromo-2-fluorophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]thiourea
CID 100636081
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
1-(2-cyano-4-fluorophenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 78894585
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 2214920

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea (CID 55792899) is 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea is Cc1ccc(Br)cc1NC(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is DSOGAKHUAZCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-12(2)23-16-8-5-14(6-9-16)11-20-18(22)21-17-10-15(19)7-4-13(17)3/h4-10,12H,11H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 377.28 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 55792899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).