1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea

C16H17BrN2O2 — CID 108898949

IUPAC1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-21-15-9-4-3-8-14(15)19-16(20)18-11-12-6-5-7-13(17)10-12/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyNRIOGAQSOIMFTM-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.17
Rot. Bonds5

About 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea

1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea (PubChem CID 108898949) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
PubChem CID108898949
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-2-21-15-9-4-3-8-14(15)19-16(20)18-11-12-6-5-7-13(17)10-12/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyNRIOGAQSOIMFTM-UHFFFAOYSA-N
XLogP4.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
CID 25236910
1-[(3-bromophenyl)methyl]-3-naphthalen-1-ylurea
CID 108884702
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 1177379
2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 3670954
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2-chlorophenyl)-3-[(3-ethoxyphenyl)methyl]urea
CID 51046185
1-[(3-bromophenyl)methyl]-3-(2-phenylsulfanylphenyl)urea
CID 108898844

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea (CID 108898949) is 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is NRIOGAQSOIMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-2-21-15-9-4-3-8-14(15)19-16(20)18-11-12-6-5-7-13(17)10-12/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea?
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea has a molecular weight of 349.23 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 108898949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).