N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide

C18H16F2N6O2 — CID 25102686

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H16F2N6O2/c1-2-25(10-16(27)22-17-14(19)7-4-8-15(17)20)18(28)12-5-3-6-13(9-12)26-11-21-23-24-26/h3-9,11H,2,10H2,1H3,(H,22,27)
InChIKeyMZZWGTXCTZLNEI-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide (PubChem CID 25102686) has the molecular formula C18H16F2N6O2 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide
PubChem CID25102686
Molecular FormulaC18H16F2N6O2
Molecular Weight386.36 g/mol
Exact Mass386.13
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C18H16F2N6O2/c1-2-25(10-16(27)22-17-14(19)7-4-8-15(17)20)18(28)12-5-3-6-13(9-12)26-11-21-23-24-26/h3-9,11H,2,10H2,1H3,(H,22,27)
InChIKeyMZZWGTXCTZLNEI-UHFFFAOYSA-N
XLogP2.04
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-{4-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]phenyl}butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895840
N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-(phenylcarbonylamino)(3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 866071
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216697
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 3216701
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)-3,4-difluorobenzamide
CID 44577992
(S)-N-((m-toluidino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)-3,5-difluorobenzamide
CID 44577993
N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
1'-[4-(1H-tetrazol-1-yl)benzoyl]-1,4'-bipiperidine-4'-carboxamide
CID 1267908

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide (CID 25102686) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is MZZWGTXCTZLNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O2/c1-2-25(10-16(27)22-17-14(19)7-4-8-15(17)20)18(28)12-5-3-6-13(9-12)26-11-21-23-24-26/h3-9,11H,2,10H2,1H3,(H,22,27).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 386.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 25102686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).