1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea

C14H12BrClN2O — CID 60968991

IUPAC1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCc1ccc(Br)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O/c15-11-3-1-10(2-4-11)9-17-14(19)18-13-7-5-12(16)6-8-13/h1-8H,9H2,(H2,17,18,19)
InChIKeyXEUPBNICVXAMRW-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.42
Rot. Bonds3

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

1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea (PubChem CID 60968991) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
PubChem CID60968991
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
SMILESO=C(NCc1ccc(Br)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O/c15-11-3-1-10(2-4-11)9-17-14(19)18-13-7-5-12(16)6-8-13/h1-8H,9H2,(H2,17,18,19)
InChIKeyXEUPBNICVXAMRW-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
2-[4-[(4-bromophenyl)methylcarbamoylamino]phenyl]acetic acid
CID 108899454
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-[(4-bromophenyl)methyl]-3-(4-tert-butylphenyl)urea
CID 108884917
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416
1-(4-chlorophenyl)-3-[[4-(trifluoromethylsulfanyl)phenyl]methyl]urea
CID 172617529
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea (CID 60968991) is 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea is O=C(NCc1ccc(Br)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea?
The InChIKey is XEUPBNICVXAMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-11-3-1-10(2-4-11)9-17-14(19)18-13-7-5-12(16)6-8-13/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea?
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea has a molecular weight of 339.62 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 60968991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).