N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C20H22FN5O2 — CID 51260416

IUPACN-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H22FN5O2/c21-17-8-10-18(11-9-17)28-13-5-4-12-22-20(27)19(26-15-23-24-25-26)14-16-6-2-1-3-7-16/h1-3,6-11,15,19H,4-5,12-14H2,(H,22,27)
InChIKeyTXBSEKAPUHNSON-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.57
Rot. Bonds10

About N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51260416) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51260416
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C20H22FN5O2/c21-17-8-10-18(11-9-17)28-13-5-4-12-22-20(27)19(26-15-23-24-25-26)14-16-6-2-1-3-7-16/h1-3,6-11,15,19H,4-5,12-14H2,(H,22,27)
InChIKeyTXBSEKAPUHNSON-UHFFFAOYSA-N
XLogP2.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51054807
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
2-(4-methylphenoxy)ethyl (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate
CID 8509646
3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
CID 46447445
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 134026262
N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229552
(2R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052008
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51260416) is N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(NCCCCOc1ccc(F)cc1)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is TXBSEKAPUHNSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-17-8-10-18(11-9-17)28-13-5-4-12-22-20(27)19(26-15-23-24-25-26)14-16-6-2-1-3-7-16/h1-3,6-11,15,19H,4-5,12-14H2,(H,22,27).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 383.43 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).