N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide

C23H21BrN2O5 — CID 3117342

IUPACN-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(Br)c2)cc(OC)c1OC
InChIInChI=1S/C23H21BrN2O5/c1-29-19-11-15(12-20(30-2)21(19)31-3)23(28)25-16-9-10-18(17(24)13-16)26-22(27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyVCZRNNVCQIJKED-UHFFFAOYSA-N
MW485.33 g/mol
LogP4.98
Rot. Bonds7

About N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide

N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide (PubChem CID 3117342) has the molecular formula C23H21BrN2O5 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
PubChem CID3117342
Molecular FormulaC23H21BrN2O5
Molecular Weight485.33 g/mol
Exact Mass484.06
IUPAC NameN-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(Br)c2)cc(OC)c1OC
InChIInChI=1S/C23H21BrN2O5/c1-29-19-11-15(12-20(30-2)21(19)31-3)23(28)25-16-9-10-18(17(24)13-16)26-22(27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,25,28)(H,26,27)
InChIKeyVCZRNNVCQIJKED-UHFFFAOYSA-N
XLogP4.98
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-[2-bromo-4-(carbamothioylamino)phenyl]benzamide
CID 169358569
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
2-iodo-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
CID 2974192
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3934727
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700666
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide (CID 3117342) is N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(Br)c2)cc(OC)c1OC.
What is the InChIKey of N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is VCZRNNVCQIJKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O5/c1-29-19-11-15(12-20(30-2)21(19)31-3)23(28)25-16-9-10-18(17(24)13-16)26-22(27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide?
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 485.33 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3117342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).