N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

C19H19FN6O2 — CID 55991992

IUPACN-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C19H19FN6O2/c1-12(2)17(23-18(27)13-6-4-3-5-7-13)19(28)22-16-10-14(8-9-15(16)20)26-11-21-24-25-26/h3-12,17H,1-2H3,(H,22,28)(H,23,27)
InChIKeyNAGXGNGYUWVLAA-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.19
Rot. Bonds6

About N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 55991992) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID55991992
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC NameN-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C19H19FN6O2/c1-12(2)17(23-18(27)13-6-4-3-5-7-13)19(28)22-16-10-14(8-9-15(16)20)26-11-21-24-25-26/h3-12,17H,1-2H3,(H,22,28)(H,23,27)
InChIKeyNAGXGNGYUWVLAA-UHFFFAOYSA-N
XLogP2.19
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
1-acetyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 55993279
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934319

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 55991992) is N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is NAGXGNGYUWVLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-12(2)17(23-18(27)13-6-4-3-5-7-13)19(28)22-16-10-14(8-9-15(16)20)26-11-21-24-25-26/h3-12,17H,1-2H3,(H,22,28)(H,23,27).
What are the key properties of N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 382.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55991992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).