5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide

C21H16FN5O2 — CID 29127859

IUPAC5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C21H16FN5O2/c22-16-6-11-20(27-14-23-25-26-27)19(12-16)21(28)24-17-7-9-18(10-8-17)29-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,28)
InChIKeyRBPQKYQHCABGMM-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.63
Rot. Bonds6

About 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide

5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 29127859) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
PubChem CID29127859
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C21H16FN5O2/c22-16-6-11-20(27-14-23-25-26-27)19(12-16)21(28)24-17-7-9-18(10-8-17)29-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,28)
InChIKeyRBPQKYQHCABGMM-UHFFFAOYSA-N
XLogP3.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582130
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
5-fluoro-2-(tetrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 42569473
methyl (2S)-2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 42580732
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55618154
5-fluoro-2-(tetrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 42571629
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide (CID 29127859) is 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is RBPQKYQHCABGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-16-6-11-20(27-14-23-25-26-27)19(12-16)21(28)24-17-7-9-18(10-8-17)29-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,24,28).
What are the key properties of 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 389.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-phenylmethoxyphenyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 29127859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).