1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea

C15H14BrClN2O — CID 60969760

IUPAC1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
SMILESCN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-19(10-11-5-4-6-12(16)9-11)15(20)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyNCMJPEPDNGVWTI-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.77
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea

1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea (PubChem CID 60969760) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
PubChem CID60969760
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
SMILESCN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-19(10-11-5-4-6-12(16)9-11)15(20)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeyNCMJPEPDNGVWTI-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986587
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N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
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2-[[(3-bromophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
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N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
3-(2-chlorophenyl)-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)urea
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1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005
2-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]acetic acid
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methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
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CID 86856279

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea (CID 60969760) is 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea is CN(Cc1cccc(Br)c1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea?
The InChIKey is NCMJPEPDNGVWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-19(10-11-5-4-6-12(16)9-11)15(20)18-14-8-3-2-7-13(14)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea?
1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea has a molecular weight of 353.65 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea is sourced from PubChem (CID 60969760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).