1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid

C11H9Br2NO3 — CID 114368106

IUPAC1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H9Br2NO3/c12-6-1-2-8(13)7(5-6)9(15)14-11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
InChIKeyVCKTWOTYZXKVMR-UHFFFAOYSA-N
MW363.01 g/mol
LogP2.56
Rot. Bonds3

About 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid

1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 114368106) has the molecular formula C11H9Br2NO3 and a molecular weight of 363.01 g/mol. Its IUPAC name is 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID114368106
Molecular FormulaC11H9Br2NO3
Molecular Weight363.01 g/mol
Exact Mass360.89
IUPAC Name1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H9Br2NO3/c12-6-1-2-8(13)7(5-6)9(15)14-11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17)
InChIKeyVCKTWOTYZXKVMR-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.01
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid 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-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
1-[(5-amino-2-bromobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 115297219
1-[[4-bromo-2-(trifluoromethyl)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 107332634
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910
4-[(2-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280132
2,5-dibromo-N-carbamoylbenzamide
CID 114375953
1-[(7-bromodibenzofuran-3-carbonyl)amino]-4,4-difluorocyclohexane-1-carboxylic acid
CID 166666855
1-[(2-bromo-4-chlorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 107986460
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330
4-[(4-bromobenzoyl)amino]oxane-4-carboxylic acid
CID 113280104
2,5-dibromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 114372464

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid (CID 114368106) is 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1cc(Br)ccc1Br.
What is the InChIKey of 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is VCKTWOTYZXKVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO3/c12-6-1-2-8(13)7(5-6)9(15)14-11(3-4-11)10(16)17/h1-2,5H,3-4H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 363.01 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dibromobenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114368106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).