(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

C19H23ClN3O2+ — CID 8540301

IUPAC(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-3-21-19(25)22-18(24)17(15-7-5-4-6-8-15)23(2)13-14-9-11-16(20)12-10-14/h4-12,17H,3,13H2,1-2H3,(H2,21,22,24,25)/p+1/t17-/m0/s1
InChIKeyKFEAIZFBKBJNMZ-KRWDZBQOSA-O
MW360.87 g/mol
LogP1.94
Rot. Bonds6

About (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium

(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 8540301) has the molecular formula C19H23ClN3O2+ and a molecular weight of 360.87 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID8540301
Molecular FormulaC19H23ClN3O2+
Molecular Weight360.87 g/mol
Exact Mass360.15
IUPAC Name(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2/c1-3-21-19(25)22-18(24)17(15-7-5-4-6-8-15)23(2)13-14-9-11-16(20)12-10-14/h4-12,17H,3,13H2,1-2H3,(H2,21,22,24,25)/p+1/t17-/m0/s1
InChIKeyKFEAIZFBKBJNMZ-KRWDZBQOSA-O
XLogP1.94
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethoxyphenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8844790
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805644
benzyl-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-methylazanium
CID 4198096
(2R)-2-(4-chlorophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7816326
[2-(2,3-dimethylanilino)-2-oxoethyl]-[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8552805
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846329
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[[5-(4-chlorophenyl)furan-2-yl]methyl]-methylazanium
CID 9208318
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750970
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8517042
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
CID 19165627

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium (CID 8540301) is (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is CCNC(=O)NC(=O)[C@H](c1ccccc1)[NH+](C)Cc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is KFEAIZFBKBJNMZ-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H22ClN3O2/c1-3-21-19(25)22-18(24)17(15-7-5-4-6-8-15)23(2)13-14-9-11-16(20)12-10-14/h4-12,17H,3,13H2,1-2H3,(H2,21,22,24,25)/p+1/t17-/m0/s1.
What are the key properties of (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium?
(4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 360.87 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 8540301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).