2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid

C14H17FN2O4 — CID 61201654

IUPAC2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
SMILESCCC1COCCN1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-2-10-8-21-6-5-17(10)14(20)16-12-4-3-9(15)7-11(12)13(18)19/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyDFWQGPUCAHPGRY-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.17
Rot. Bonds3

About 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid

2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid (PubChem CID 61201654) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
PubChem CID61201654
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
SMILESCCC1COCCN1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-2-10-8-21-6-5-17(10)14(20)16-12-4-3-9(15)7-11(12)13(18)19/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyDFWQGPUCAHPGRY-UHFFFAOYSA-N
XLogP2.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
CID 43613288
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
5-fluoro-2-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62967632
2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611
(3R)-N-(2,4-difluorophenyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)morpholine-4-carboxamide
CID 95867228
5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 61186602
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
CID 96518024
2-(1,4-dioxane-2-carbonylamino)-5-fluorobenzoic acid
CID 43359644
(3-ethylmorpholin-4-yl)-[5-methyl-2-(methylamino)phenyl]methanone
CID 55083039

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid (CID 61201654) is 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid is CCC1COCCN1C(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid?
The InChIKey is DFWQGPUCAHPGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-10-8-21-6-5-17(10)14(20)16-12-4-3-9(15)7-11(12)13(18)19/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid?
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid has a molecular weight of 296.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 61201654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).