N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide

C25H24FN5O2 — CID 1232095

IUPACN-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide
SMILESCc1ccc(NC(=O)CCn2nnc(-c3ccc(OCc4ccccc4F)cc3)n2)cc1C
InChIInChI=1S/C25H24FN5O2/c1-17-7-10-21(15-18(17)2)27-24(32)13-14-31-29-25(28-30-31)19-8-11-22(12-9-19)33-16-20-5-3-4-6-23(20)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,32)
InChIKeyFCTSUYLGCRTPMI-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.70
Rot. Bonds8

About N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide

N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide (PubChem CID 1232095) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide
PubChem CID1232095
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide
SMILESCc1ccc(NC(=O)CCn2nnc(-c3ccc(OCc4ccccc4F)cc3)n2)cc1C
InChIInChI=1S/C25H24FN5O2/c1-17-7-10-21(15-18(17)2)27-24(32)13-14-31-29-25(28-30-31)19-8-11-22(12-9-19)33-16-20-5-3-4-6-23(20)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,32)
InChIKeyFCTSUYLGCRTPMI-UHFFFAOYSA-N
XLogP4.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide (CID 1232095) is N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide is Cc1ccc(NC(=O)CCn2nnc(-c3ccc(OCc4ccccc4F)cc3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide?
The InChIKey is FCTSUYLGCRTPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-17-7-10-21(15-18(17)2)27-24(32)13-14-31-29-25(28-30-31)19-8-11-22(12-9-19)33-16-20-5-3-4-6-23(20)26/h3-12,15H,13-14,16H2,1-2H3,(H,27,32).
What are the key properties of N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide?
N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide has a molecular weight of 445.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[5-[4-[(2-fluorophenyl)methoxy]phenyl]tetrazol-2-yl]propanamide is sourced from PubChem (CID 1232095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).