N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide

C24H19FN6O3 — CID 1452611

IUPACN-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3F)n2)c1
InChIInChI=1S/C24H19FN6O3/c1-15(32)16-7-6-8-17(13-16)26-22(33)14-31-29-23(28-30-31)19-10-3-5-12-21(19)27-24(34)18-9-2-4-11-20(18)25/h2-13H,14H2,1H3,(H,26,33)(H,27,34)
InChIKeyUSNAUPFRACNNJT-UHFFFAOYSA-N
MW458.45 g/mol
LogP3.57
Rot. Bonds7

About N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide

N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide (PubChem CID 1452611) has the molecular formula C24H19FN6O3 and a molecular weight of 458.45 g/mol. Its IUPAC name is N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
PubChem CID1452611
Molecular FormulaC24H19FN6O3
Molecular Weight458.45 g/mol
Exact Mass458.15
IUPAC NameN-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3F)n2)c1
InChIInChI=1S/C24H19FN6O3/c1-15(32)16-7-6-8-17(13-16)26-22(33)14-31-29-23(28-30-31)19-10-3-5-12-21(19)27-24(34)18-9-2-4-11-20(18)25/h2-13H,14H2,1H3,(H,26,33)(H,27,34)
InChIKeyUSNAUPFRACNNJT-UHFFFAOYSA-N
XLogP3.57
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 1168126
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
2-[5-(2-acetamidophenyl)tetrazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3192798
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 648033
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943
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
N-[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 858288
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]pyrazine-2-carboxamide
CID 1463796
N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide
CID 43813163

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide (CID 1452611) is N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide is CC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccccc3F)n2)c1.
What is the InChIKey of N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide?
The InChIKey is USNAUPFRACNNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3/c1-15(32)16-7-6-8-17(13-16)26-22(33)14-31-29-23(28-30-31)19-10-3-5-12-21(19)27-24(34)18-9-2-4-11-20(18)25/h2-13H,14H2,1H3,(H,26,33)(H,27,34).
What are the key properties of N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide?
N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide has a molecular weight of 458.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-acetylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 1452611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).