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

C27H21N5O3 — CID 134130004

IUPAC4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H21N5O3/c1-34-21-15-11-19(12-16-21)27(33)28-25-10-6-5-9-24(25)26-29-31-32(30-26)20-13-17-23(18-14-20)35-22-7-3-2-4-8-22/h2-18H,1H3,(H,28,33)
InChIKeyTWUKBBKXCGAJGO-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.38
Rot. Bonds7

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

4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide (PubChem CID 134130004) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide
PubChem CID134130004
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H21N5O3/c1-34-21-15-11-19(12-16-21)27(33)28-25-10-6-5-9-24(25)26-29-31-32(30-26)20-13-17-23(18-14-20)35-22-7-3-2-4-8-22/h2-18H,1H3,(H,28,33)
InChIKeyTWUKBBKXCGAJGO-UHFFFAOYSA-N
XLogP5.38
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-[2-(2-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
CID 118737180
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
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide
CID 121149300
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
N-(4-methoxyphenyl)-2-[5-[2-[(2-phenoxyacetyl)amino]phenyl]tetrazol-2-yl]acetamide
CID 1463830
N-[2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]phenyl]butanamide
CID 1463735
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide (CID 134130004) is 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
The InChIKey is TWUKBBKXCGAJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c1-34-21-15-11-19(12-16-21)27(33)28-25-10-6-5-9-24(25)26-29-31-32(30-26)20-13-17-23(18-14-20)35-22-7-3-2-4-8-22/h2-18H,1H3,(H,28,33).
What are the key properties of 4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide?
4-methoxy-N-[2-[2-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide has a molecular weight of 463.50 g/mol, XLogP of 5.38, 7 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-(4-phenoxyphenyl)tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 134130004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).