1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid

C13H13ClFNO4 — CID 146142387

IUPAC1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1CC(NC(=O)c2cc(Cl)ccc2F)(C(=O)O)C1
InChIInChI=1S/C13H13ClFNO4/c1-20-8-5-13(6-8,12(18)19)16-11(17)9-4-7(14)2-3-10(9)15/h2-4,8H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGLZHDYKRRQOIA-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.84
Rot. Bonds4

About 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid

1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid (PubChem CID 146142387) has the molecular formula C13H13ClFNO4 and a molecular weight of 301.70 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid
PubChem CID146142387
Molecular FormulaC13H13ClFNO4
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid
SMILESCOC1CC(NC(=O)c2cc(Cl)ccc2F)(C(=O)O)C1
InChIInChI=1S/C13H13ClFNO4/c1-20-8-5-13(6-8,12(18)19)16-11(17)9-4-7(14)2-3-10(9)15/h2-4,8H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyIGLZHDYKRRQOIA-UHFFFAOYSA-N
XLogP1.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662
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CID 103082452
1-[(5-chloro-2-fluorobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295226
1-[(4-chloro-2-methoxybenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158312
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
N-(1-carbamothioylcyclopentyl)-5-chloro-2-fluorobenzamide
CID 61119919
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742326
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
3-[(2-fluoro-5-methylbenzoyl)amino]thiolane-3-carboxylic acid
CID 62514960
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid (CID 146142387) is 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid is COC1CC(NC(=O)c2cc(Cl)ccc2F)(C(=O)O)C1.
What is the InChIKey of 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
The InChIKey is IGLZHDYKRRQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO4/c1-20-8-5-13(6-8,12(18)19)16-11(17)9-4-7(14)2-3-10(9)15/h2-4,8H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid?
1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid has a molecular weight of 301.70 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorobenzoyl)amino]-3-methoxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 146142387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).