2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide

C23H19BrN6O3 — CID 167957621

IUPAC2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1-n1nnnc1C
InChIInChI=1S/C23H19BrN6O3/c1-14-27-28-29-30(14)20-13-17(10-11-21(20)33-2)25-23(32)18-8-3-4-9-19(18)26-22(31)15-6-5-7-16(24)12-15/h3-13H,1-2H3,(H,25,32)(H,26,31)
InChIKeyROPKLHPSTJLTFK-UHFFFAOYSA-N
MW507.35 g/mol
LogP4.25
Rot. Bonds6

About 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide

2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide (PubChem CID 167957621) has the molecular formula C23H19BrN6O3 and a molecular weight of 507.35 g/mol. Its IUPAC name is 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide
PubChem CID167957621
Molecular FormulaC23H19BrN6O3
Molecular Weight507.35 g/mol
Exact Mass506.07
IUPAC Name2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1-n1nnnc1C
InChIInChI=1S/C23H19BrN6O3/c1-14-27-28-29-30(14)20-13-17(10-11-21(20)33-2)25-23(32)18-8-3-4-9-19(18)26-22(31)15-6-5-7-16(24)12-15/h3-13H,1-2H3,(H,25,32)(H,26,31)
InChIKeyROPKLHPSTJLTFK-UHFFFAOYSA-N
XLogP4.25
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyridazine-4-carboxamide
CID 167800736
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
5-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17094295
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
CID 95317921
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide (CID 167957621) is 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1-n1nnnc1C.
What is the InChIKey of 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is ROPKLHPSTJLTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN6O3/c1-14-27-28-29-30(14)20-13-17(10-11-21(20)33-2)25-23(32)18-8-3-4-9-19(18)26-22(31)15-6-5-7-16(24)12-15/h3-13H,1-2H3,(H,25,32)(H,26,31).
What are the key properties of 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide?
2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 507.35 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromobenzoyl)amino]-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 167957621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).