4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C17H17FN6O — CID 45251703

IUPAC4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NCc2ccc(F)cc2)cc1)c1nn[nH]n1
InChIInChI=1S/C17H17FN6O/c1-11(16-21-23-24-22-16)20-17(25)13-4-8-15(9-5-13)19-10-12-2-6-14(18)7-3-12/h2-9,11,19H,10H2,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyOXOOBRMTQUQODH-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.44
Rot. Bonds6

About 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 45251703) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID45251703
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NCc2ccc(F)cc2)cc1)c1nn[nH]n1
InChIInChI=1S/C17H17FN6O/c1-11(16-21-23-24-22-16)20-17(25)13-4-8-15(9-5-13)19-10-12-2-6-14(18)7-3-12/h2-9,11,19H,10H2,1H3,(H,20,25)(H,21,22,23,24)
InChIKeyOXOOBRMTQUQODH-UHFFFAOYSA-N
XLogP2.44
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
4-[(4-chlorophenyl)methylamino]-N-propan-2-ylbenzamide
CID 60935576
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
4-[(4-tert-butylanilino)methyl]-N-(2H-tetrazol-5-yl)benzamide;hydrochloride
CID 22501762
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 77001396
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
2-[4-[(4-fluoroanilino)methyl]phenyl]propanoic acid
CID 103234523
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 45251703) is 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(NCc2ccc(F)cc2)cc1)c1nn[nH]n1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is OXOOBRMTQUQODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-11(16-21-23-24-22-16)20-17(25)13-4-8-15(9-5-13)19-10-12-2-6-14(18)7-3-12/h2-9,11,19H,10H2,1H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 340.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 45251703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).