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

C20H16N6O3 — CID 648033

IUPACN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)Nc1ccccc1
InChIInChI=1S/C20H16N6O3/c27-18(21-14-7-2-1-3-8-14)13-26-24-19(23-25-26)15-9-4-5-10-16(15)22-20(28)17-11-6-12-29-17/h1-12H,13H2,(H,21,27)(H,22,28)
InChIKeyAPNXEPKHXQBNLP-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 648033) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID648033
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC NameN-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)Nc1ccccc1
InChIInChI=1S/C20H16N6O3/c27-18(21-14-7-2-1-3-8-14)13-26-24-19(23-25-26)15-9-4-5-10-16(15)22-20(28)17-11-6-12-29-17/h1-12H,13H2,(H,21,27)(H,22,28)
InChIKeyAPNXEPKHXQBNLP-UHFFFAOYSA-N
XLogP2.82
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 1463792
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
4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229782
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 4846196
N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
CID 1452611
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid
CID 5151774
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463834
2-[5-(2-acetamidophenyl)tetrazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3192798

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide (CID 648033) is N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)Nc1ccccc1.
What is the InChIKey of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is APNXEPKHXQBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-18(21-14-7-2-1-3-8-14)13-26-24-19(23-25-26)15-9-4-5-10-16(15)22-20(28)17-11-6-12-29-17/h1-12H,13H2,(H,21,27)(H,22,28).
What are the key properties of N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide?
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 648033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).