1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea

C13H13BrN2O2 — CID 108899432

IUPAC1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C13H13BrN2O2/c14-11-5-3-10(4-6-11)8-15-13(17)16-9-12-2-1-7-18-12/h1-7H,8-9H2,(H2,15,16,17)
InChIKeyDKFYOLYEZTXELX-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.04
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea

1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea (PubChem CID 108899432) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
PubChem CID108899432
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccc(Br)cc1)NCc1ccco1
InChIInChI=1S/C13H13BrN2O2/c14-11-5-3-10(4-6-11)8-15-13(17)16-9-12-2-1-7-18-12/h1-7H,8-9H2,(H2,15,16,17)
InChIKeyDKFYOLYEZTXELX-UHFFFAOYSA-N
XLogP3.04
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
5-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 62074358
4-bromo-2-(furan-2-ylmethylcarbamoylamino)benzoic acid
CID 61187529
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
1-[2-(3-bromophenoxy)ethyl]-3-(furan-2-ylmethyl)urea
CID 47322764
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
1-(furan-2-ylmethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 38285248

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea (CID 108899432) is 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea is O=C(NCc1ccc(Br)cc1)NCc1ccco1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea?
The InChIKey is DKFYOLYEZTXELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-11-5-3-10(4-6-11)8-15-13(17)16-9-12-2-1-7-18-12/h1-7H,8-9H2,(H2,15,16,17).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea?
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea has a molecular weight of 309.16 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 108899432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).