N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide

C19H19Cl2N5O3 — CID 58502092

IUPACN-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide
SMILESO=C(N(Cc1ccco1)C1CCCCC1)n1nnn(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H19Cl2N5O3/c20-15-9-4-10-16(21)17(15)25-19(28)26(23-22-25)18(27)24(12-14-8-5-11-29-14)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyCJEMEDPWNXPLPK-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.13
Rot. Bonds4

About N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide

N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide (PubChem CID 58502092) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide
PubChem CID58502092
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC NameN-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide
SMILESO=C(N(Cc1ccco1)C1CCCCC1)n1nnn(-c2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C19H19Cl2N5O3/c20-15-9-4-10-16(21)17(15)25-19(28)26(23-22-25)18(27)24(12-14-8-5-11-29-14)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyCJEMEDPWNXPLPK-UHFFFAOYSA-N
XLogP4.13
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.13
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

N-(3-aminopropyl)-N-cyclohexyl-4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carboxamide
CID 70668249
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
6-chloro-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 103337342
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
1-amino-N-cyclopentyl-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 60940015
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxy-2-methylpropanamide
CID 103028787
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
1-cyclopentyl-1-(furan-2-ylmethyl)-3-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95151771
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949589

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide (CID 58502092) is N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide is O=C(N(Cc1ccco1)C1CCCCC1)n1nnn(-c2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is CJEMEDPWNXPLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/c20-15-9-4-10-16(21)17(15)25-19(28)26(23-22-25)18(27)24(12-14-8-5-11-29-14)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2.
What are the key properties of N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide?
N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 436.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).