1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea

C19H15BrN2O — CID 108907013

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
SMILESO=C(N/C=C/c1cccc(Br)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15BrN2O/c20-17-7-3-4-14(12-17)10-11-21-19(23)22-18-9-8-15-5-1-2-6-16(15)13-18/h1-13H,(H2,21,22,23)/b11-10+
InChIKeyFTKDRCKARSMHAG-ZHACJKMWSA-N
MW367.25 g/mol
LogP5.39
Rot. Bonds3

About 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea

1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea (PubChem CID 108907013) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
PubChem CID108907013
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
SMILESO=C(N/C=C/c1cccc(Br)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H15BrN2O/c20-17-7-3-4-14(12-17)10-11-21-19(23)22-18-9-8-15-5-1-2-6-16(15)13-18/h1-13H,(H2,21,22,23)/b11-10+
InChIKeyFTKDRCKARSMHAG-ZHACJKMWSA-N
XLogP5.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906804
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
CID 108906986
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea
CID 108906906
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108906932
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea (CID 108907013) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea is O=C(N/C=C/c1cccc(Br)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea?
The InChIKey is FTKDRCKARSMHAG-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-17-7-3-4-14(12-17)10-11-21-19(23)22-18-9-8-15-5-1-2-6-16(15)13-18/h1-13H,(H2,21,22,23)/b11-10+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea has a molecular weight of 367.25 g/mol, XLogP of 5.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 108907013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).