1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea

C16H17BrN2O — CID 47194369

IUPAC1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
SMILESCc1cc(NC(=O)NC(C)c2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-10-14(8-9-15(11)17)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyQYLNOFYTQOLMKH-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.64
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea

1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea (PubChem CID 47194369) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
PubChem CID47194369
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
SMILESCc1cc(NC(=O)NC(C)c2ccccc2)ccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11-10-14(8-9-15(11)17)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20)
InChIKeyQYLNOFYTQOLMKH-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
2-[(4-bromo-3-methylphenyl)carbamoylamino]butanoic acid
CID 61182819
(2R)-2-[(4-bromo-3-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976471
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
1-(4-bromo-3-methylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92711061
1-(2-methylphenyl)-3-(1-phenylethyl)urea
CID 19165597

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea (CID 47194369) is 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea is Cc1cc(NC(=O)NC(C)c2ccccc2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea?
The InChIKey is QYLNOFYTQOLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-10-14(8-9-15(11)17)19-16(20)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea?
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea has a molecular weight of 333.23 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 47194369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).