N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide

C26H26FN5O4 — CID 58502136

IUPACN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1cc(C)ccc1OCCc1ccccc1
InChIInChI=1S/C26H26FN5O4/c1-4-30(21-17-18(2)13-14-22(21)36-16-15-19-9-6-5-7-10-19)25(33)32-26(34)31(28-29-32)24-20(27)11-8-12-23(24)35-3/h5-14,17H,4,15-16H2,1-3H3
InChIKeyFHCHWPHBMLVITB-UHFFFAOYSA-N
MW491.52 g/mol
LogP4.00
Rot. Bonds8

About N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide

N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide (PubChem CID 58502136) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide
PubChem CID58502136
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC NameN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1cc(C)ccc1OCCc1ccccc1
InChIInChI=1S/C26H26FN5O4/c1-4-30(21-17-18(2)13-14-22(21)36-16-15-19-9-6-5-7-10-19)25(33)32-26(34)31(28-29-32)24-20(27)11-8-12-23(24)35-3/h5-14,17H,4,15-16H2,1-3H3
InChIKeyFHCHWPHBMLVITB-UHFFFAOYSA-N
XLogP4.00
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 58502374
N-(2-butoxy-5-methylphenyl)-4-(2-fluoro-6-methoxyphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 90076443
N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502440
benzyl 5-[ethyl-[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoate;benzyl 5-[[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-2-methylbenzoate;N-(4-bromophenyl)-4-(2-methoxyphenyl)-N-(4-methylphenyl)-5-oxotetrazole-1-carboxamide;N-(2-butoxy-5-methylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide;N-(2-chloro-5-methylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide;5-[[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-2-methylbenzoic acid;N-ethyl-N-(3-methoxy-4-methylphenyl)-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide;N-ethyl-4-(2-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide;4-(2-methoxyphenyl)-N-(4-methylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
CID 159437939
benzyl 5-[[4-(2-fluoro-6-methoxyphenyl)-5-oxotetrazole-1-carbonyl]-phosphanylamino]-2-methoxybenzoate
CID 129100493
N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
CID 70668202
N-ethyl-N-(2-fluorophenyl)-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502221
benzyl 5-[ethyl-[4-(2-methoxyphenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methoxybenzoate
CID 58502217
5-(N-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]anilino)-2-methoxybenzoic acid
CID 126498993
3-[butylsulfanyl-[4-(2-fluoro-6-methoxyphenyl)-5-oxotetrazole-1-carbonyl]amino]benzoic acid
CID 126499090
benzyl 5-[[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-2-methoxybenzoate
CID 58502130
N-(4-acetamido-2-fluorophenyl)-4-(2,6-difluorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
CID 58502419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide (CID 58502136) is N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1cc(C)ccc1OCCc1ccccc1.
What is the InChIKey of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide?
The InChIKey is FHCHWPHBMLVITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-4-30(21-17-18(2)13-14-22(21)36-16-15-19-9-6-5-7-10-19)25(33)32-26(34)31(28-29-32)24-20(27)11-8-12-23(24)35-3/h5-14,17H,4,15-16H2,1-3H3.
What are the key properties of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide?
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).