4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide

C18H18FN5O2 — CID 131912508

IUPAC4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C18H18FN5O2/c1-26-17-11-15(24-12-20-22-23-24)9-10-16(17)21-18(25)4-2-3-13-5-7-14(19)8-6-13/h5-12H,2-4H2,1H3,(H,21,25)
InChIKeyPKHIGZSEDAENFG-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.77
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide

4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 131912508) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide
PubChem CID131912508
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide
SMILESCOc1cc(-n2cnnn2)ccc1NC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C18H18FN5O2/c1-26-17-11-15(24-12-20-22-23-24)9-10-16(17)21-18(25)4-2-3-13-5-7-14(19)8-6-13/h5-12H,2-4H2,1H3,(H,21,25)
InChIKeyPKHIGZSEDAENFG-UHFFFAOYSA-N
XLogP2.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide (CID 131912508) is 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide is COc1cc(-n2cnnn2)ccc1NC(=O)CCCc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is PKHIGZSEDAENFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-26-17-11-15(24-12-20-22-23-24)9-10-16(17)21-18(25)4-2-3-13-5-7-14(19)8-6-13/h5-12H,2-4H2,1H3,(H,21,25).
What are the key properties of 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide?
4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 355.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-methoxy-4-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 131912508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).