N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide

C20H19F2N9O — CID 72700362

IUPACN-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cn2)n1
InChIInChI=1S/C20H19F2N9O/c1-3-29(20(32)16-10-14(21)5-7-18(16)31-24-8-9-25-31)13(2)12-30-27-19(26-28-30)17-6-4-15(22)11-23-17/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyRZCMTDYOBWWFIA-ZDUSSCGKSA-N
MW439.43 g/mol
LogP2.14
Rot. Bonds7

About N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide

N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide (PubChem CID 72700362) has the molecular formula C20H19F2N9O and a molecular weight of 439.43 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
PubChem CID72700362
Molecular FormulaC20H19F2N9O
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC NameN-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cn2)n1
InChIInChI=1S/C20H19F2N9O/c1-3-29(20(32)16-10-14(21)5-7-18(16)31-24-8-9-25-31)13(2)12-30-27-19(26-28-30)17-6-4-15(22)11-23-17/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1
InChIKeyRZCMTDYOBWWFIA-ZDUSSCGKSA-N
XLogP2.14
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide (CID 72700362) is N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cn2)n1.
What is the InChIKey of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The InChIKey is RZCMTDYOBWWFIA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19F2N9O/c1-3-29(20(32)16-10-14(21)5-7-18(16)31-24-8-9-25-31)13(2)12-30-27-19(26-28-30)17-6-4-15(22)11-23-17/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide has a molecular weight of 439.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)tetrazol-2-yl]propan-2-yl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72700362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).