N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide

C17H16N6O2 — CID 858288

IUPACN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(N)=O)n2)c1
InChIInChI=1S/C17H16N6O2/c1-11-5-4-6-12(9-11)17(25)19-14-8-3-2-7-13(14)16-20-22-23(21-16)10-15(18)24/h2-9H,10H2,1H3,(H2,18,24)(H,19,25)
InChIKeyCUNPEPCAMMTFIU-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.39
Rot. Bonds5

About N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide

N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide (PubChem CID 858288) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide
PubChem CID858288
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(N)=O)n2)c1
InChIInChI=1S/C17H16N6O2/c1-11-5-4-6-12(9-11)17(25)19-14-8-3-2-7-13(14)16-20-22-23(21-16)10-15(18)24/h2-9H,10H2,1H3,(H2,18,24)(H,19,25)
InChIKeyCUNPEPCAMMTFIU-UHFFFAOYSA-N
XLogP1.39
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
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-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
N-[2-[2-[2-amino-1-(4-methylphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-chlorobenzamide
CID 22300953
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463796
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
N-(4-iodo-2-methylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3644769
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide (CID 858288) is N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(N)=O)n2)c1.
What is the InChIKey of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide?
The InChIKey is CUNPEPCAMMTFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-11-5-4-6-12(9-11)17(25)19-14-8-3-2-7-13(14)16-20-22-23(21-16)10-15(18)24/h2-9H,10H2,1H3,(H2,18,24)(H,19,25).
What are the key properties of N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide?
N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide has a molecular weight of 336.36 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 858288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).