1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea

C19H17BrN2O — CID 108901727

IUPAC1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea
SMILESO=C(NCCc1cccc(Br)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17BrN2O/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/h1-9,12-13H,10-11H2,(H2,21,22,23)
InChIKeyIYEKNHNMFLZONR-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.97
Rot. Bonds4

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

1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea (PubChem CID 108901727) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea
PubChem CID108901727
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea
SMILESO=C(NCCc1cccc(Br)c1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17BrN2O/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/h1-9,12-13H,10-11H2,(H2,21,22,23)
InChIKeyIYEKNHNMFLZONR-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
2-(3-bromophenyl)-N-naphthalen-2-ylacetamide
CID 100697686
2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108901676
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661
1-[2-(3-bromophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 108901627
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
1-[2-(3-bromophenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108901668
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672
1-[2-(3-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866790
1-[2-(3-bromophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901593
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea (CID 108901727) is 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea is O=C(NCCc1cccc(Br)c1)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea?
The InChIKey is IYEKNHNMFLZONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O/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/h1-9,12-13H,10-11H2,(H2,21,22,23).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea?
1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea has a molecular weight of 369.26 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 108901727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).