2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid

C13H13Br2NO3 — CID 114368164

IUPAC2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Br)ccc2Br)CCC1
InChIInChI=1S/C13H13Br2NO3/c14-8-2-3-10(15)9(6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18)
InChIKeyNQJUSYGXEGCRQA-UHFFFAOYSA-N
MW391.06 g/mol
LogP3.34
Rot. Bonds4

About 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 114368164) has the molecular formula C13H13Br2NO3 and a molecular weight of 391.06 g/mol. Its IUPAC name is 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
PubChem CID114368164
Molecular FormulaC13H13Br2NO3
Molecular Weight391.06 g/mol
Exact Mass388.93
IUPAC Name2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Br)ccc2Br)CCC1
InChIInChI=1S/C13H13Br2NO3/c14-8-2-3-10(15)9(6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18)
InChIKeyNQJUSYGXEGCRQA-UHFFFAOYSA-N
XLogP3.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64671810
2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 114368106
2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid (CID 114368164) is 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(Br)ccc2Br)CCC1.
What is the InChIKey of 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is NQJUSYGXEGCRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO3/c14-8-2-3-10(15)9(6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 391.06 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 114368164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).