3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid

C13H14Cl2N2O4 — CID 61188726

IUPAC3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)O)CCO1
InChIInChI=1S/C13H14Cl2N2O4/c1-7-6-17(2-3-21-7)13(20)16-11-9(12(18)19)4-8(14)5-10(11)15/h4-5,7H,2-3,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyDPVJUFIVHPQZQU-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.94
Rot. Bonds2

About 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid

3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid (PubChem CID 61188726) has the molecular formula C13H14Cl2N2O4 and a molecular weight of 333.17 g/mol. Its IUPAC name is 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
PubChem CID61188726
Molecular FormulaC13H14Cl2N2O4
Molecular Weight333.17 g/mol
Exact Mass332.03
IUPAC Name3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)O)CCO1
InChIInChI=1S/C13H14Cl2N2O4/c1-7-6-17(2-3-21-7)13(20)16-11-9(12(18)19)4-8(14)5-10(11)15/h4-5,7H,2-3,6H2,1H3,(H,16,20)(H,18,19)
InChIKeyDPVJUFIVHPQZQU-UHFFFAOYSA-N
XLogP2.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
3,5-dichloro-2-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 61206711
3,5-dichloro-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
CID 79750383
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113580
3,5-dichloro-4-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 82832976
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
(5-amino-2-chlorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 16773432
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
2-methyl-5-[[(2-methylmorpholine-4-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 61186721
2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398630
2-chloro-4-(2-methylmorpholin-4-yl)benzoic acid
CID 62946063

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid (CID 61188726) is 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid is CC1CN(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)O)CCO1.
What is the InChIKey of 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
The InChIKey is DPVJUFIVHPQZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O4/c1-7-6-17(2-3-21-7)13(20)16-11-9(12(18)19)4-8(14)5-10(11)15/h4-5,7H,2-3,6H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid?
3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid has a molecular weight of 333.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61188726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).