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

C14H17FN2O4 — CID 61202010

IUPAC5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
SMILESCCC1COCCN1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H17FN2O4/c1-2-10-8-21-6-5-17(10)14(20)16-9-3-4-12(15)11(7-9)13(18)19/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyIFUCEBMBDNUEBB-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.17
Rot. Bonds3

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

5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid (PubChem CID 61202010) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
PubChem CID61202010
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
SMILESCCC1COCCN1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H17FN2O4/c1-2-10-8-21-6-5-17(10)14(20)16-9-3-4-12(15)11(7-9)13(18)19/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyIFUCEBMBDNUEBB-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

2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
(3S)-3-ethyl-N-[3-[ethyl(methyl)amino]phenyl]morpholine-4-carboxamide
CID 96518024
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
CID 138042517
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(3-amino-4-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43611694
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743315
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094
(3S)-N-(3-fluoro-4-methylsulfanylphenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 96535699
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794682

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid (CID 61202010) is 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid is CCC1COCCN1C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid?
The InChIKey is IFUCEBMBDNUEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-10-8-21-6-5-17(10)14(20)16-9-3-4-12(15)11(7-9)13(18)19/h3-4,7,10H,2,5-6,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid?
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-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 5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 61202010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).