1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea

C18H18BrFN2O — CID 113214403

IUPAC1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESCc1cc(Br)ccc1NC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18BrFN2O/c1-12-10-14(19)4-7-16(12)22-17(23)21-11-18(8-9-18)13-2-5-15(20)6-3-13/h2-7,10H,8-9,11H2,1H3,(H2,21,22,23)
InChIKeyILXLYDQSEDEWTN-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.75
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea

1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (PubChem CID 113214403) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
PubChem CID113214403
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESCc1cc(Br)ccc1NC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18BrFN2O/c1-12-10-14(19)4-7-16(12)22-17(23)21-11-18(8-9-18)13-2-5-15(20)6-3-13/h2-7,10H,8-9,11H2,1H3,(H2,21,22,23)
InChIKeyILXLYDQSEDEWTN-UHFFFAOYSA-N
XLogP4.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 52565167
1-(4-bromo-2-methylphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437547
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
N-(4-bromo-2-methylphenyl)-2-[(1-phenylcyclobutyl)methylcarbamoylamino]acetamide
CID 52550986
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112761225
1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
methyl 4-chloro-3-[[1-(4-fluorophenyl)cyclopropyl]methylcarbamoylamino]benzoate
CID 113214388
1-(4-bromo-2-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3790845
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (CID 113214403) is 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea is Cc1cc(Br)ccc1NC(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The InChIKey is ILXLYDQSEDEWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c1-12-10-14(19)4-7-16(12)22-17(23)21-11-18(8-9-18)13-2-5-15(20)6-3-13/h2-7,10H,8-9,11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea has a molecular weight of 377.26 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).