1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea

C16H23BrN2O2 — CID 172583793

IUPAC1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea
SMILESCCOC(CNC(=O)NC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-2-21-15(12-6-5-7-13(17)10-12)11-18-16(20)19-14-8-3-4-9-14/h5-7,10,14-15H,2-4,8-9,11H2,1H3,(H2,18,19,20)
InChIKeyPCYJHQIXILLBBA-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.77
Rot. Bonds6

About 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea

1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea (PubChem CID 172583793) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea
PubChem CID172583793
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea
SMILESCCOC(CNC(=O)NC1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-2-21-15(12-6-5-7-13(17)10-12)11-18-16(20)19-14-8-3-4-9-14/h5-7,10,14-15H,2-4,8-9,11H2,1H3,(H2,18,19,20)
InChIKeyPCYJHQIXILLBBA-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
1-[(3-bromobenzoyl)amino]-3-cyclohexylurea
CID 3693189
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea?
The IUPAC name of 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea (CID 172583793) is 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea?
The canonical SMILES for 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea is CCOC(CNC(=O)NC1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea?
The InChIKey is PCYJHQIXILLBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-2-21-15(12-6-5-7-13(17)10-12)11-18-16(20)19-14-8-3-4-9-14/h5-7,10,14-15H,2-4,8-9,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea?
1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea has a molecular weight of 355.28 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)-2-ethoxyethyl]-3-cyclopentylurea is sourced from PubChem (CID 172583793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).