4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide

C22H19N5O3 — CID 118737180

IUPAC4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3OC)n2)cc1
InChIInChI=1S/C22H19N5O3/c1-29-16-13-11-15(12-14-16)22(28)23-18-8-4-3-7-17(18)21-24-26-27(25-21)19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,28)
InChIKeyQTYHIDADAYBDHC-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.60
Rot. Bonds6

About 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide

4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 118737180) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID118737180
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3OC)n2)cc1
InChIInChI=1S/C22H19N5O3/c1-29-16-13-11-15(12-14-16)22(28)23-18-8-4-3-7-17(18)21-24-26-27(25-21)19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,28)
InChIKeyQTYHIDADAYBDHC-UHFFFAOYSA-N
XLogP3.60
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide
CID 134130004
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-3-nitrobenzamide
CID 134130601
4-methoxy-N-[2-[2-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463805
4-methoxy-N-[2-[2-[2-(3-methoxypropylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229791
4-tert-butyl-N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1463770
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
N-(2-methoxyphenyl)-4-[[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 2511451
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-[2-[2-[2-(2-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbenzamide
CID 1463772
N-(2-methoxyphenyl)-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 1463756

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide (CID 118737180) is 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccccc3OC)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is QTYHIDADAYBDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-29-16-13-11-15(12-14-16)22(28)23-18-8-4-3-7-17(18)21-24-26-27(25-21)19-9-5-6-10-20(19)30-2/h3-14H,1-2H3,(H,23,28).
What are the key properties of 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide has a molecular weight of 401.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 118737180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).