N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide

C22H18N6O2 — CID 1455558

IUPACN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C22H18N6O2/c29-20(23-17-11-5-2-6-12-17)15-28-26-21(25-27-28)18-13-7-8-14-19(18)24-22(30)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,29)(H,24,30)
InChIKeyOOUOKIXLTJXJEI-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide

N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 1455558) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID1455558
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC NameN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccccc1
InChIInChI=1S/C22H18N6O2/c29-20(23-17-11-5-2-6-12-17)15-28-26-21(25-27-28)18-13-7-8-14-19(18)24-22(30)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,29)(H,24,30)
InChIKeyOOUOKIXLTJXJEI-UHFFFAOYSA-N
XLogP3.23
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 648033
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
CID 1452611
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463796
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
4-tert-butyl-N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3192792
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid
CID 5151774
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide (CID 1455558) is N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccccc1.
What is the InChIKey of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is OOUOKIXLTJXJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-20(23-17-11-5-2-6-12-17)15-28-26-21(25-27-28)18-13-7-8-14-19(18)24-22(30)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,29)(H,24,30).
What are the key properties of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide?
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide has a molecular weight of 398.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 1455558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).