[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium

C18H18Cl2N5O+ — CID 9306640

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1Cl
InChIInChI=1S/C18H17Cl2N5O/c1-12(14-4-2-3-5-15(14)20)22-9-18(26)24-16-8-13(19)6-7-17(16)25-11-21-10-23-25/h2-8,10-12,22H,9H2,1H3,(H,24,26)/p+1/t12-/m1/s1
InChIKeyMFPCXKGNEOPWDG-GFCCVEGCSA-O
MW391.28 g/mol
LogP2.84
Rot. Bonds6

About [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium (PubChem CID 9306640) has the molecular formula C18H18Cl2N5O+ and a molecular weight of 391.28 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium
PubChem CID9306640
Molecular FormulaC18H18Cl2N5O+
Molecular Weight391.28 g/mol
Exact Mass390.09
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1Cl
InChIInChI=1S/C18H17Cl2N5O/c1-12(14-4-2-3-5-15(14)20)22-9-18(26)24-16-8-13(19)6-7-17(16)25-11-21-10-23-25/h2-8,10-12,22H,9H2,1H3,(H,24,26)/p+1/t12-/m1/s1
InChIKeyMFPCXKGNEOPWDG-GFCCVEGCSA-O
XLogP2.84
TPSA76.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376171
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964673
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9307077
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)butanamide
CID 62838457
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 18084476
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-dichloroanilino)acetamide
CID 37474179
4-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 18144249
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 41421726
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(ethylamino)propanamide
CID 62833924
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 51281899
2-O-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505482
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537022

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium (CID 9306640) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium?
The InChIKey is MFPCXKGNEOPWDG-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H17Cl2N5O/c1-12(14-4-2-3-5-15(14)20)22-9-18(26)24-16-8-13(19)6-7-17(16)25-11-21-10-23-25/h2-8,10-12,22H,9H2,1H3,(H,24,26)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium has a molecular weight of 391.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 9306640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).