2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid

C14H17ClN2O4 — CID 61398630

IUPAC2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CC(C)O1
InChIInChI=1S/C14H17ClN2O4/c1-8-6-17(7-9(2)21-8)14(20)16-10-3-4-11(13(18)19)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGEKSNGYKVRIAPF-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid

2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid (PubChem CID 61398630) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
PubChem CID61398630
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid
SMILESCC1CN(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CC(C)O1
InChIInChI=1S/C14H17ClN2O4/c1-8-6-17(7-9(2)21-8)14(20)16-10-3-4-11(13(18)19)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGEKSNGYKVRIAPF-UHFFFAOYSA-N
XLogP2.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.68
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
(2S,6S)-N-(3,4-dichlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 726111
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
2-chloro-5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670753
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-fluorobenzoic acid
CID 61186692
2-chloro-4-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62968868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid (CID 61398630) is 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid is CC1CN(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)CC(C)O1.
What is the InChIKey of 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
The InChIKey is GEKSNGYKVRIAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-8-6-17(7-9(2)21-8)14(20)16-10-3-4-11(13(18)19)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid?
2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid has a molecular weight of 312.75 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61398630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).