4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid

C20H21ClN2O4 — CID 122021175

IUPAC4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-13-12-27-18(16-4-2-3-5-17(16)21)11-23(13)20(26)22-10-14-6-8-15(9-7-14)19(24)25/h2-9,13,18H,10-12H2,1H3,(H,22,26)(H,24,25)
InChIKeyYUZHBJAOZMIECT-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.71
Rot. Bonds4

About 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid

4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 122021175) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid
PubChem CID122021175
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid
SMILESCC1COC(c2ccccc2Cl)CN1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C20H21ClN2O4/c1-13-12-27-18(16-4-2-3-5-17(16)21)11-23(13)20(26)22-10-14-6-8-15(9-7-14)19(24)25/h2-9,13,18H,10-12H2,1H3,(H,22,26)(H,24,25)
InChIKeyYUZHBJAOZMIECT-UHFFFAOYSA-N
XLogP3.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

(2S,5S)-2-(2-chlorophenyl)-5-methyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-4-carboxamide
CID 99806997
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
4-[[(2-methyl-4-phenylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122021125
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124568472
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide
CID 95979779
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 71930920
(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 119784353

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid (CID 122021175) is 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid is CC1COC(c2ccccc2Cl)CN1C(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is YUZHBJAOZMIECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-13-12-27-18(16-4-2-3-5-17(16)21)11-23(13)20(26)22-10-14-6-8-15(9-7-14)19(24)25/h2-9,13,18H,10-12H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid?
4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid has a molecular weight of 388.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122021175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).