N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C23H27FN6O2 — CID 3179345

IUPACN-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H27FN6O2/c1-16(2)12-13-25-21(31)14-29(20-10-8-19(24)9-11-20)22(32)15-30-27-23(26-28-30)18-6-4-17(3)5-7-18/h4-11,16H,12-15H2,1-3H3,(H,25,31)
InChIKeyYBKHEBLOVNMLFJ-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.98
Rot. Bonds9

About N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 3179345) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID3179345
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC NameN-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H27FN6O2/c1-16(2)12-13-25-21(31)14-29(20-10-8-19(24)9-11-20)22(32)15-30-27-23(26-28-30)18-6-4-17(3)5-7-18/h4-11,16H,12-15H2,1-3H3,(H,25,31)
InChIKeyYBKHEBLOVNMLFJ-UHFFFAOYSA-N
XLogP2.98
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 49843520
N-[3-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 49872677
N-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872776
2-[cyclohexyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347956
2-[cyclohexyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347971
2-[cyclohexyl-[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347992
N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
2-Fluoro-N-{3-[2-(isopropylcarbamoyl-methyl)-2H-tetrazol-5-yl]-phenyl}-benzamide
CID 646056
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
N-(2-{2-[2-(2-Methyl-2,3-dihydro-indol-1-yl)-2-oxo-ethyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 650750
N-Cyclopentyl-2-[5-(4-fluoro-phenyl)-tetrazol-2-yl]-N-[(3-methyl-butylcarbamoyl)-methyl]-acetamide
CID 654864
4-Fluoro-N-(4-{2-[(3-methoxy-propylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-benzamide
CID 656171

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 3179345) is N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is YBKHEBLOVNMLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-16(2)12-13-25-21(31)14-29(20-10-8-19(24)9-11-20)22(32)15-30-27-23(26-28-30)18-6-4-17(3)5-7-18/h4-11,16H,12-15H2,1-3H3,(H,25,31).
What are the key properties of N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 3179345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).