1-benzhydryl-3-(5-bromofuran-2-yl)urea

C18H15BrN2O2 — CID 108872841

IUPAC1-benzhydryl-3-(5-bromofuran-2-yl)urea
SMILESO=C(Nc1ccc(Br)o1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15BrN2O2/c19-15-11-12-16(23-15)20-18(22)21-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H2,20,21,22)
InChIKeyBLJVWECFSAVYMF-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.95
Rot. Bonds4

About 1-benzhydryl-3-(5-bromofuran-2-yl)urea

1-benzhydryl-3-(5-bromofuran-2-yl)urea (PubChem CID 108872841) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 1-benzhydryl-3-(5-bromofuran-2-yl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(5-bromofuran-2-yl)urea
PubChem CID108872841
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name1-benzhydryl-3-(5-bromofuran-2-yl)urea
SMILESO=C(Nc1ccc(Br)o1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15BrN2O2/c19-15-11-12-16(23-15)20-18(22)21-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H2,20,21,22)
InChIKeyBLJVWECFSAVYMF-UHFFFAOYSA-N
XLogP4.95
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378
1-benzhydryl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871724
[2-(benzhydrylamino)-2-oxoethyl] 3-(5-bromofuran-2-yl)prop-2-enoate
CID 3620266
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
N-(benzhydrylcarbamoyl)benzamide
CID 2850647
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
4-(benzhydrylcarbamoylamino)benzenesulfonic acid
CID 108867379
2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
CID 16792434
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(5-bromofuran-2-yl)urea?
The IUPAC name of 1-benzhydryl-3-(5-bromofuran-2-yl)urea (CID 108872841) is 1-benzhydryl-3-(5-bromofuran-2-yl)urea.
What is the SMILES notation for 1-benzhydryl-3-(5-bromofuran-2-yl)urea?
The canonical SMILES for 1-benzhydryl-3-(5-bromofuran-2-yl)urea is O=C(Nc1ccc(Br)o1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(5-bromofuran-2-yl)urea?
The InChIKey is BLJVWECFSAVYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-15-11-12-16(23-15)20-18(22)21-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H2,20,21,22).
What are the key properties of 1-benzhydryl-3-(5-bromofuran-2-yl)urea?
1-benzhydryl-3-(5-bromofuran-2-yl)urea has a molecular weight of 371.23 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(5-bromofuran-2-yl)urea is sourced from PubChem (CID 108872841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).