N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C19H20ClFN6O — CID 171710418

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C19H19FN6O.ClH/c20-17-6-5-16(26-12-22-24-25-26)10-18(17)23-19(27)15-3-1-13(2-4-15)9-14-7-8-21-11-14;/h1-6,10,12,14,21H,7-9,11H2,(H,23,27);1H
InChIKeyHFNUNYXUOQGOCA-UHFFFAOYSA-N
MW402.86 g/mol
LogP2.63
Rot. Bonds5

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171710418) has the molecular formula C19H20ClFN6O and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171710418
Molecular FormulaC19H20ClFN6O
Molecular Weight402.86 g/mol
Exact Mass402.14
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(CC2CCNC2)cc1
InChIInChI=1S/C19H19FN6O.ClH/c20-17-6-5-16(26-12-22-24-25-26)10-18(17)23-19(27)15-3-1-13(2-4-15)9-14-7-8-21-11-14;/h1-6,10,12,14,21H,7-9,11H2,(H,23,27);1H
InChIKeyHFNUNYXUOQGOCA-UHFFFAOYSA-N
XLogP2.63
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 120757045
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755849
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-methoxypyridine-3-carboxamide
CID 51090541
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55812153
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869918
2-[[2-fluoro-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934319

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171710418) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(Nc1cc(-n2cnnn2)ccc1F)c1ccc(CC2CCNC2)cc1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is HFNUNYXUOQGOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O.ClH/c20-17-6-5-16(26-12-22-24-25-26)10-18(17)23-19(27)15-3-1-13(2-4-15)9-14-7-8-21-11-14;/h1-6,10,12,14,21H,7-9,11H2,(H,23,27);1H.
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 402.86 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171710418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).