1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid

C11H9F2NO3 — CID 65450763

IUPAC1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H9F2NO3/c12-7-3-6(4-8(13)5-7)9(15)14-11(1-2-11)10(16)17/h3-5H,1-2H2,(H,14,15)(H,16,17)
InChIKeyJBLVVQVYDWXAPT-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.31
Rot. Bonds3

About 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid

1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65450763) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID65450763
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C11H9F2NO3/c12-7-3-6(4-8(13)5-7)9(15)14-11(1-2-11)10(16)17/h3-5H,1-2H2,(H,14,15)(H,16,17)
InChIKeyJBLVVQVYDWXAPT-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 65451768
N-(1-carbamothioylcyclopentyl)-3,5-difluorobenzamide
CID 61119914
1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 104785488
1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
CID 166317351
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
3-[(3,4,5-trifluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890377
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
1-[(4-fluoro-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107013377

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid (CID 65450763) is 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is JBLVVQVYDWXAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-7-3-6(4-8(13)5-7)9(15)14-11(1-2-11)10(16)17/h3-5H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 241.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65450763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).