2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane

C15H19Cl2N5O2 — CID 156797994

IUPAC2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
SMILESCC.O=C(Cn1nnn(C2CC2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N5O2.C2H6/c14-10-4-1-8(5-11(10)15)6-16-12(21)7-19-13(22)20(18-17-19)9-2-3-9;1-2/h1,4-5,9H,2-3,6-7H2,(H,16,21);1-2H3
InChIKeyDPLPEFMTHLHGJM-UHFFFAOYSA-N
MW372.26 g/mol
LogP2.42
Rot. Bonds5

About 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane

2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane (PubChem CID 156797994) has the molecular formula C15H19Cl2N5O2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
PubChem CID156797994
Molecular FormulaC15H19Cl2N5O2
Molecular Weight372.26 g/mol
Exact Mass371.09
IUPAC Name2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
SMILESCC.O=C(Cn1nnn(C2CC2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N5O2.C2H6/c14-10-4-1-8(5-11(10)15)6-16-12(21)7-19-13(22)20(18-17-19)9-2-3-9;1-2/h1,4-5,9H,2-3,6-7H2,(H,16,21);1-2H3
InChIKeyDPLPEFMTHLHGJM-UHFFFAOYSA-N
XLogP2.42
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane 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-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 156798088
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 167956870
N-[(4-chloro-3-fluorophenyl)methyl]-2-(3-cyclopropyl-4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 156798078
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 124852047
N-[(4-chloro-3-fluorophenyl)methyl]-2-[5-oxo-4-[(3R)-oxolan-3-yl]-1,2,4-triazol-1-yl]acetamide
CID 156798109
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67458133
N-[4-(cyanomethyl)phenyl]-2-(4-cyclopentyl-5-oxotetrazol-1-yl)acetamide
CID 167952489
N-[(4-chloro-3-methylphenyl)methyl]-2-[4-cyclopropyl-5-oxo-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-1-yl]acetamide
CID 156798114
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
2-[6-(4-acetyl-1,4-diazepan-1-yl)-4-oxo-1,2,4a,5,6,7,8,8a-octahydroquinazolin-3-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 155818384
N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 156798054

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane?
The IUPAC name of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane (CID 156797994) is 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane.
What is the SMILES notation for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane?
The canonical SMILES for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane is CC.O=C(Cn1nnn(C2CC2)c1=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane?
The InChIKey is DPLPEFMTHLHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5O2.C2H6/c14-10-4-1-8(5-11(10)15)6-16-12(21)7-19-13(22)20(18-17-19)9-2-3-9;1-2/h1,4-5,9H,2-3,6-7H2,(H,16,21);1-2H3.
What are the key properties of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane?
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane has a molecular weight of 372.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane is sourced from PubChem (CID 156797994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).