3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide

C16H17FN6O — CID 154753075

IUPAC3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCC(CN(C)C(=O)c1ccc(-n2cccc2)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C16H17FN6O/c1-11(15-18-20-21-19-15)10-22(2)16(24)12-5-6-14(13(17)9-12)23-7-3-4-8-23/h3-9,11H,10H2,1-2H3,(H,18,19,20,21)
InChIKeyPTQMJBXZHDWUGV-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.01
Rot. Bonds5

About 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide

3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide (PubChem CID 154753075) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
PubChem CID154753075
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC Name3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESCC(CN(C)C(=O)c1ccc(-n2cccc2)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C16H17FN6O/c1-11(15-18-20-21-19-15)10-22(2)16(24)12-5-6-14(13(17)9-12)23-7-3-4-8-23/h3-9,11H,10H2,1-2H3,(H,18,19,20,21)
InChIKeyPTQMJBXZHDWUGV-UHFFFAOYSA-N
XLogP2.01
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
CID 99604817
2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
CID 99605218
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 99606683
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 86816453
3-fluoro-4-pyrrol-1-yl-N-(2H-tetrazol-5-yl)benzamide
CID 56826852
N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 86798745
3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 99821384
4-ethyl-2-hydroxy-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide
CID 126781844
2-(3-chloro-4-fluorophenoxy)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99605001
3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide
CID 111543227
3-chloro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146139841
2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide
CID 91649078

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The IUPAC name of 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide (CID 154753075) is 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide is CC(CN(C)C(=O)c1ccc(-n2cccc2)c(F)c1)c1nn[nH]n1.
What is the InChIKey of 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
The InChIKey is PTQMJBXZHDWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-11(15-18-20-21-19-15)10-22(2)16(24)12-5-6-14(13(17)9-12)23-7-3-4-8-23/h3-9,11H,10H2,1-2H3,(H,18,19,20,21).
What are the key properties of 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide?
3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide has a molecular weight of 328.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-pyrrol-1-yl-N-[2-(2H-tetrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 154753075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).