N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide

C16H12F2N6O3 — CID 71791093

IUPACN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide
SMILESNC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1=O
InChIInChI=1S/C16H12F2N6O3/c17-12-6-1-9(7-13(12)18)15(26)20-10-2-4-11(5-3-10)24-16(27)23(21-22-24)8-14(19)25/h1-7H,8H2,(H2,19,25)(H,20,26)
InChIKeyQXSQHEFRDOPMIW-UHFFFAOYSA-N
MW374.31 g/mol
LogP0.44
Rot. Bonds5

About N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide

N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide (PubChem CID 71791093) has the molecular formula C16H12F2N6O3 and a molecular weight of 374.31 g/mol. Its IUPAC name is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide
PubChem CID71791093
Molecular FormulaC16H12F2N6O3
Molecular Weight374.31 g/mol
Exact Mass374.09
IUPAC NameN-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide
SMILESNC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1=O
InChIInChI=1S/C16H12F2N6O3/c17-12-6-1-9(7-13(12)18)15(26)20-10-2-4-11(5-3-10)24-16(27)23(21-22-24)8-14(19)25/h1-7H,8H2,(H2,19,25)(H,20,26)
InChIKeyQXSQHEFRDOPMIW-UHFFFAOYSA-N
XLogP0.44
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-chloro-4-fluorobenzamide
CID 71791110
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 71791091
2-[4-[4-[(2-benzylsulfanylacetyl)amino]phenyl]-5-oxotetrazol-1-yl]acetamide
CID 71791099
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
CID 71791101
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]acetic acid
CID 156506917
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
3,4-difluoro-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983258
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide (CID 71791093) is N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide is NC(=O)Cn1nnn(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1=O.
What is the InChIKey of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide?
The InChIKey is QXSQHEFRDOPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O3/c17-12-6-1-9(7-13(12)18)15(26)20-10-2-4-11(5-3-10)24-16(27)23(21-22-24)8-14(19)25/h1-7H,8H2,(H2,19,25)(H,20,26).
What are the key properties of N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide?
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide has a molecular weight of 374.31 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 71791093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).