4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide

C19H22ClN2O2+ — CID 9148310

IUPAC4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(23)21-18(15-4-2-1-3-5-15)14-22-10-12-24-13-11-22/h1-9,18H,10-14H2,(H,21,23)/p+1/t18-/m0/s1
InChIKeyITHIGHHLRWZCSE-SFHVURJKSA-O
MW345.85 g/mol
LogP1.73
Rot. Bonds5

About 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide

4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide (PubChem CID 9148310) has the molecular formula C19H22ClN2O2+ and a molecular weight of 345.85 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
PubChem CID9148310
Molecular FormulaC19H22ClN2O2+
Molecular Weight345.85 g/mol
Exact Mass345.14
IUPAC Name4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(23)21-18(15-4-2-1-3-5-15)14-22-10-12-24-13-11-22/h1-9,18H,10-14H2,(H,21,23)/p+1/t18-/m0/s1
InChIKeyITHIGHHLRWZCSE-SFHVURJKSA-O
XLogP1.73
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 9149566
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
4-chloro-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328030
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]quinoline-2-carboxamide
CID 9148328
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
CID 11024937
tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9150397
N-[2-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9149121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide (CID 9148310) is 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide is O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
The InChIKey is ITHIGHHLRWZCSE-SFHVURJKSA-O. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(23)21-18(15-4-2-1-3-5-15)14-22-10-12-24-13-11-22/h1-9,18H,10-14H2,(H,21,23)/p+1/t18-/m0/s1.
What are the key properties of 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide?
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide has a molecular weight of 345.85 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 9148310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).