1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid

C18H14FNO4 — CID 70256080

IUPAC1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H14FNO4/c19-13-8-4-7-12(9-13)15(21)14-10-18(14,17(23)24)20-16(22)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,20,22)(H,23,24)
InChIKeyYIUGRTCJKNTSEZ-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.28
Rot. Bonds5

About 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid

1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid (PubChem CID 70256080) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
PubChem CID70256080
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C18H14FNO4/c19-13-8-4-7-12(9-13)15(21)14-10-18(14,17(23)24)20-16(22)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,20,22)(H,23,24)
InChIKeyYIUGRTCJKNTSEZ-UHFFFAOYSA-N
XLogP2.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid (CID 70256080) is 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1C(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
The InChIKey is YIUGRTCJKNTSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c19-13-8-4-7-12(9-13)15(21)14-10-18(14,17(23)24)20-16(22)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,20,22)(H,23,24).
What are the key properties of 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid?
1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid has a molecular weight of 327.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70256080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).