4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide

C17H16FN5O — CID 42568845

IUPAC4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1
InChIInChI=1S/C17H16FN5O/c1-11(2)12-3-6-14(7-4-12)20-17(24)15-8-5-13(18)9-16(15)23-10-19-21-22-23/h3-11H,1-2H3,(H,20,24)
InChIKeyBQQZCPSYRLHNDE-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.18
Rot. Bonds4

About 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide

4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 42568845) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
PubChem CID42568845
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1
InChIInChI=1S/C17H16FN5O/c1-11(2)12-3-6-14(7-4-12)20-17(24)15-8-5-13(18)9-16(15)23-10-19-21-22-23/h3-11H,1-2H3,(H,20,24)
InChIKeyBQQZCPSYRLHNDE-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-4-fluoro-2-(tetrazol-1-yl)benzamide
CID 29129325
ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
methyl (2R,3S)-2-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-methylpentanoate
CID 96565035
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
CID 29139683
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 42571629
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 29127859
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide (CID 42568845) is 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide is CC(C)c1ccc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1.
What is the InChIKey of 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is BQQZCPSYRLHNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-11(2)12-3-6-14(7-4-12)20-17(24)15-8-5-13(18)9-16(15)23-10-19-21-22-23/h3-11H,1-2H3,(H,20,24).
What are the key properties of 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide?
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 325.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42568845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).