2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid

C17H17BrN2O3 — CID 108901676

IUPAC2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c18-14-3-1-2-12(10-14)8-9-19-17(23)20-15-6-4-13(5-7-15)11-16(21)22/h1-7,10H,8-9,11H2,(H,21,22)(H2,19,20,23)
InChIKeyBOHQCEPEWBJXRH-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.44
Rot. Bonds6

About 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid

2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid (PubChem CID 108901676) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid
PubChem CID108901676
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NCCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c18-14-3-1-2-12(10-14)8-9-19-17(23)20-15-6-4-13(5-7-15)11-16(21)22/h1-7,10H,8-9,11H2,(H,21,22)(H2,19,20,23)
InChIKeyBOHQCEPEWBJXRH-UHFFFAOYSA-N
XLogP3.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
1-(4-aminophenyl)-3-[2-(3-bromophenyl)ethyl]urea
CID 108897082
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
1-[2-(3-bromophenyl)ethyl]-3-naphthalen-2-ylurea
CID 108901727
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661
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-(3,4,5-trimethoxyphenyl)urea
CID 108866790
1-[2-(3-bromophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 108901627
2-[4-[(4-bromophenyl)methylcarbamoylamino]phenyl]acetic acid
CID 108899454
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid (CID 108901676) is 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NCCc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid?
The InChIKey is BOHQCEPEWBJXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-14-3-1-2-12(10-14)8-9-19-17(23)20-15-6-4-13(5-7-15)11-16(21)22/h1-7,10H,8-9,11H2,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid?
2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid has a molecular weight of 377.24 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 108901676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).