4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide

C17H15Cl2N5O3 — CID 58502301

IUPAC4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccc(OC)cc1
InChIInChI=1S/C17H15Cl2N5O3/c1-3-22(11-7-9-12(27-2)10-8-11)16(25)24-17(26)23(20-21-24)15-13(18)5-4-6-14(15)19/h4-10H,3H2,1-2H3
InChIKeyWKXJUBCPWGKFKB-UHFFFAOYSA-N
MW408.25 g/mol
LogP3.24
Rot. Bonds4

About 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide

4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 58502301) has the molecular formula C17H15Cl2N5O3 and a molecular weight of 408.25 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide
PubChem CID58502301
Molecular FormulaC17H15Cl2N5O3
Molecular Weight408.25 g/mol
Exact Mass407.06
IUPAC Name4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccc(OC)cc1
InChIInChI=1S/C17H15Cl2N5O3/c1-3-22(11-7-9-12(27-2)10-8-11)16(25)24-17(26)23(20-21-24)15-13(18)5-4-6-14(15)19/h4-10H,3H2,1-2H3
InChIKeyWKXJUBCPWGKFKB-UHFFFAOYSA-N
XLogP3.24
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-Dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea
CID 71625599
N-(2-chlorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 757318
N-(2-chlorophenyl)-N'-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}urea
CID 15989711
1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)urea
CID 16640854
1-(2-Chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one
CID 41402523
1-(3-chloro-4-methoxyphenyl)-4-propyl-1,4-dihydro-5H-tetraazol-5-one
CID 56693536
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-oxo-N,N-dipropyltetrazole-1-carboxamide
CID 15765407
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-oxo-N,N-bis(prop-2-enyl)tetrazole-1-carboxamide
CID 15765409
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-oxo-N,N-di(propan-2-yl)tetrazole-1-carboxamide
CID 19004050
(5S)-1-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyrrolidin-2-one
CID 134844534
N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-1-piperazinecarboxamide
CID 1306499
4-(2-chlorophenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3399545

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide (CID 58502301) is 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(Cl)cccc2Cl)c1=O)c1ccc(OC)cc1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is WKXJUBCPWGKFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O3/c1-3-22(11-7-9-12(27-2)10-8-11)16(25)24-17(26)23(20-21-24)15-13(18)5-4-6-14(15)19/h4-10H,3H2,1-2H3.
What are the key properties of 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide?
4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 408.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).