2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide

C14H18FN5O — CID 856760

IUPAC2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-10(2)7-8-16-13(21)9-20-18-14(17-19-20)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyWNHHYXXJTLMQDH-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.64
Rot. Bonds6

About 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide (PubChem CID 856760) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
PubChem CID856760
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H18FN5O/c1-10(2)7-8-16-13(21)9-20-18-14(17-19-20)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,21)
InChIKeyWNHHYXXJTLMQDH-UHFFFAOYSA-N
XLogP1.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
CID 650552
(2S)-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 40586575
N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 3179372
2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylbutyl)butanamide
CID 3179426
(2S)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylbutyl)butanamide
CID 40631914
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 856763
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598220
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598231
N-[[(2R)-butan-2-yl]carbamoyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7713348
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide (CID 856760) is 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is WNHHYXXJTLMQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-10(2)7-8-16-13(21)9-20-18-14(17-19-20)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,21).
What are the key properties of 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide?
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 291.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 856760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).