N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide

C13H15ClN6O3 — CID 9119281

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cn1cnnn1
InChIInChI=1S/C13H15ClN6O3/c1-19(13(22)7-20-8-15-17-18-20)6-12(21)16-10-5-9(14)3-4-11(10)23-2/h3-5,8H,6-7H2,1-2H3,(H,16,21)
InChIKeyVIPQTVANSRISQT-UHFFFAOYSA-N
MW338.76 g/mol
LogP0.43
Rot. Bonds6

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 9119281) has the molecular formula C13H15ClN6O3 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID9119281
Molecular FormulaC13H15ClN6O3
Molecular Weight338.76 g/mol
Exact Mass338.09
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cn1cnnn1
InChIInChI=1S/C13H15ClN6O3/c1-19(13(22)7-20-8-15-17-18-20)6-12(21)16-10-5-9(14)3-4-11(10)23-2/h3-5,8H,6-7H2,1-2H3,(H,16,21)
InChIKeyVIPQTVANSRISQT-UHFFFAOYSA-N
XLogP0.43
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2559642
N-(5-chloro-2-methoxyphenyl)-N'-4H-1,2,4-triazol-4-ylurea
CID 971074
N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9552045
N-(5-chloro-2-methoxyphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
CID 15990132
N-(2-ethoxyphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511456
1-(5-chloro-2-methoxyphenyl)-1H-tetrazole
CID 856074
N-(2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 698772
N-(5-chloro-2-ethoxyphenyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 53577910
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(tetrazol-1-yl)acetamide
CID 72128554
N-[4-(4-chlorophenoxy)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122188137
N-(5-chloro-2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 779326
N-(4-chloro-2-methoxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 749665

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide (CID 9119281) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cn1cnnn1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is VIPQTVANSRISQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O3/c1-19(13(22)7-20-8-15-17-18-20)6-12(21)16-10-5-9(14)3-4-11(10)23-2/h3-5,8H,6-7H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 338.76 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 9119281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).