3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide

C20H22FN5O2 — CID 123851007

IUPAC3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1cccc(CC(CC(N)=O)c2cc(F)cc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C20H22FN5O2/c1-12(2)28-18-5-3-4-13(7-18)6-14(11-19(22)27)15-8-16(10-17(21)9-15)20-23-25-26-24-20/h3-5,7-10,12,14H,6,11H2,1-2H3,(H2,22,27)(H,23,24,25,26)
InChIKeyYATXCEFAHLUELY-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.99
Rot. Bonds8

About 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide

3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide (PubChem CID 123851007) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide
PubChem CID123851007
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1cccc(CC(CC(N)=O)c2cc(F)cc(-c3nn[nH]n3)c2)c1
InChIInChI=1S/C20H22FN5O2/c1-12(2)28-18-5-3-4-13(7-18)6-14(11-19(22)27)15-8-16(10-17(21)9-15)20-23-25-26-24-20/h3-5,7-10,12,14H,6,11H2,1-2H3,(H2,22,27)(H,23,24,25,26)
InChIKeyYATXCEFAHLUELY-UHFFFAOYSA-N
XLogP2.99
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-[4-(1,2-oxazol-4-yl)phenyl]butanamide
CID 123225324
[3-(2H-tetrazol-5-yl)phenyl] carbamate
CID 174326535
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
(2R)-2-[3-[2-(4-fluorophenoxy)ethyl]phenoxy]propanamide
CID 97132336
1-[1-bromo-2-(4-fluorophenyl)ethyl]-3-propan-2-yloxybenzene
CID 63542603
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
[3-[1-phenyl-3-[3-(2H-tetrazol-5-yl)phenyl]propan-2-yl]phenyl]methanol
CID 57211358
6-N-[[3-(difluoromethoxy)phenyl]methyl]-4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine-4,6-dicarboxamide
CID 25005748
(3S)-3-[3-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butanamide
CID 166571897

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide (CID 123851007) is 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide is CC(C)Oc1cccc(CC(CC(N)=O)c2cc(F)cc(-c3nn[nH]n3)c2)c1.
What is the InChIKey of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide?
The InChIKey is YATXCEFAHLUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-12(2)28-18-5-3-4-13(7-18)6-14(11-19(22)27)15-8-16(10-17(21)9-15)20-23-25-26-24-20/h3-5,7-10,12,14H,6,11H2,1-2H3,(H2,22,27)(H,23,24,25,26).
What are the key properties of 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide?
3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide has a molecular weight of 383.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-4-(3-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 123851007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).