(2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

C19H21Cl2N2O2+ — CID 7104250

IUPAC(2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccccc1NC(=O)[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCOCC1
InChIInChI=1S/C19H20Cl2N2O2/c1-13-4-2-3-5-17(13)22-19(24)18(23-8-10-25-11-9-23)15-7-6-14(20)12-16(15)21/h2-7,12,18H,8-11H2,1H3,(H,22,24)/p+1/t18-/m0/s1
InChIKeyVPFHYQCKOTZTRD-SFHVURJKSA-O
MW380.30 g/mol
LogP2.90
Rot. Bonds4

About (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

(2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 7104250) has the molecular formula C19H21Cl2N2O2+ and a molecular weight of 380.30 g/mol. Its IUPAC name is (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID7104250
Molecular FormulaC19H21Cl2N2O2+
Molecular Weight380.30 g/mol
Exact Mass379.10
IUPAC Name(2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccccc1NC(=O)[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCOCC1
InChIInChI=1S/C19H20Cl2N2O2/c1-13-4-2-3-5-17(13)22-19(24)18(23-8-10-25-11-9-23)15-7-6-14(20)12-16(15)21/h2-7,12,18H,8-11H2,1H3,(H,22,24)/p+1/t18-/m0/s1
InChIKeyVPFHYQCKOTZTRD-SFHVURJKSA-O
XLogP2.90
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7299679
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
2-(3,5-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 56694209
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
(2S)-2-(2,4-dichlorophenyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(2-methylphenyl)acetamide
CID 7037753
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
1-N-(2,5-dichlorophenyl)-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140988
(2S)-N-(2,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide
CID 8726397
(2S)-N-(2,6-dimethylphenyl)-2-morpholin-4-ium-4-ylpropanamide
CID 9275992
2-(3,5-dichlorophenoxy)-N-(2-methylphenyl)propanamide
CID 112778065
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-ethylphenyl)acetamide
CID 9253790

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (CID 7104250) is (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is Cc1ccccc1NC(=O)[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCOCC1.
What is the InChIKey of (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is VPFHYQCKOTZTRD-SFHVURJKSA-O. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-13-4-2-3-5-17(13)22-19(24)18(23-8-10-25-11-9-23)15-7-6-14(20)12-16(15)21/h2-7,12,18H,8-11H2,1H3,(H,22,24)/p+1/t18-/m0/s1.
What are the key properties of (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
(2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 380.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichlorophenyl)-N-(2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 7104250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).