N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C20H18FN7O2 — CID 56568506

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C20H18FN7O2/c1-13-24-25-26-28(13)15-5-8-17(21)18(11-15)23-20(29)14-3-6-16(7-4-14)30-12-19-22-9-10-27(19)2/h3-11H,12H2,1-2H3,(H,23,29)
InChIKeyLXTVDFJPRUGGKD-UHFFFAOYSA-N
MW407.41 g/mol
LogP2.67
Rot. Bonds6

About N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 56568506) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID56568506
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(OCc3nccn3C)cc2)c1
InChIInChI=1S/C20H18FN7O2/c1-13-24-25-26-28(13)15-5-8-17(21)18(11-15)23-20(29)14-3-6-16(7-4-14)30-12-19-22-9-10-27(19)2/h3-11H,12H2,1-2H3,(H,23,29)
InChIKeyLXTVDFJPRUGGKD-UHFFFAOYSA-N
XLogP2.67
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55870096
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56585656
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736273
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56532813
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]benzamide
CID 55813794
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
CID 55736145
(2S)-2-ethylsulfanyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-methylbutanamide
CID 95616798
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 56568506) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is Cc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(OCc3nccn3C)cc2)c1.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is LXTVDFJPRUGGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-13-24-25-26-28(13)15-5-8-17(21)18(11-15)23-20(29)14-3-6-16(7-4-14)30-12-19-22-9-10-27(19)2/h3-11H,12H2,1-2H3,(H,23,29).
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 407.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 56568506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).