1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid

C11H9ClFNO3 — CID 81266250

IUPAC1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFNO3/c12-7-3-1-2-6(8(7)13)9(15)14-11(4-5-11)10(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyVXIUTXVMPQJPAL-UHFFFAOYSA-N
MW257.65 g/mol
LogP1.83
Rot. Bonds3

About 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid

1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 81266250) has the molecular formula C11H9ClFNO3 and a molecular weight of 257.65 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID81266250
Molecular FormulaC11H9ClFNO3
Molecular Weight257.65 g/mol
Exact Mass257.03
IUPAC Name1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cccc(Cl)c1F
InChIInChI=1S/C11H9ClFNO3/c12-7-3-1-2-6(8(7)13)9(15)14-11(4-5-11)10(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17)
InChIKeyVXIUTXVMPQJPAL-UHFFFAOYSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114696417
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1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
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1-[(3-hydroxy-2-methylbenzoyl)amino]cyclopropane-1-carboxylic acid
CID 82826865
1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163129
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
3-[(3-chloro-2-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 81266249
4-[(2-chloro-4,5-difluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291756
1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid (CID 81266250) is 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1cccc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is VXIUTXVMPQJPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3/c12-7-3-1-2-6(8(7)13)9(15)14-11(4-5-11)10(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 257.65 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 81266250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).