4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid

C13H14ClNO4 — CID 113265061

IUPAC4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1Cl
InChIInChI=1S/C13H14ClNO4/c1-8-6-9(2-3-10(8)14)12(16)15-4-5-19-11(7-15)13(17)18/h2-3,6,11H,4-5,7H2,1H3,(H,17,18)
InChIKeySFNSBGMCMQJGNK-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.57
Rot. Bonds2

About 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid

4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid (PubChem CID 113265061) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
PubChem CID113265061
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1Cl
InChIInChI=1S/C13H14ClNO4/c1-8-6-9(2-3-10(8)14)12(16)15-4-5-19-11(7-15)13(17)18/h2-3,6,11H,4-5,7H2,1H3,(H,17,18)
InChIKeySFNSBGMCMQJGNK-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 129415319
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
4-(3-bromo-4-chlorobenzoyl)morpholine-2-carbothioamide
CID 107999080
(2S)-4-(1-methylbenzotriazole-5-carbonyl)morpholine-2-carboxylic acid
CID 125120375
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
(3-bromo-4-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113330305

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid (CID 113265061) is 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid is Cc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid?
The InChIKey is SFNSBGMCMQJGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-8-6-9(2-3-10(8)14)12(16)15-4-5-19-11(7-15)13(17)18/h2-3,6,11H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid?
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 113265061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).