2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid

C13H15ClN2O4 — CID 61398640

IUPAC2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCO1
InChIInChI=1S/C13H15ClN2O4/c1-8-7-16(4-5-20-8)13(19)15-9-2-3-10(12(17)18)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyFXDHGMMTHIXDJL-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.29
Rot. Bonds2

About 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid

2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid (PubChem CID 61398640) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
PubChem CID61398640
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCO1
InChIInChI=1S/C13H15ClN2O4/c1-8-7-16(4-5-20-8)13(19)15-9-2-3-10(12(17)18)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyFXDHGMMTHIXDJL-UHFFFAOYSA-N
XLogP2.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398630
3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61188726
2-chloro-4-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62968868
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113580
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
(2R)-N-(4-chloro-3-methylsulfonylphenyl)-2-methyl-1,4-oxazepane-4-carboxamide
CID 124621858
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614
2-chloro-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64694531
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid (CID 61398640) is 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid is CC1CN(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CCO1.
What is the InChIKey of 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The InChIKey is FXDHGMMTHIXDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-8-7-16(4-5-20-8)13(19)15-9-2-3-10(12(17)18)11(14)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid has a molecular weight of 298.73 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61398640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).