N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide

C23H21BrN2O5 — CID 15991063

IUPACN-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H21BrN2O5/c1-29-19-12-15(13-20(30-2)21(19)31-3)23(28)26-18-10-8-17(9-11-18)25-22(27)14-4-6-16(24)7-5-14/h4-13H,1-3H3,(H,25,27)(H,26,28)
InChIKeySSIAPZZWJNTHRK-UHFFFAOYSA-N
MW485.33 g/mol
LogP4.98
Rot. Bonds7

About N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide

N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 15991063) has the molecular formula C23H21BrN2O5 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID15991063
Molecular FormulaC23H21BrN2O5
Molecular Weight485.33 g/mol
Exact Mass484.06
IUPAC NameN-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H21BrN2O5/c1-29-19-12-15(13-20(30-2)21(19)31-3)23(28)26-18-10-8-17(9-11-18)25-22(27)14-4-6-16(24)7-5-14/h4-13H,1-3H3,(H,25,27)(H,26,28)
InChIKeySSIAPZZWJNTHRK-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide (CID 15991063) is N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is SSIAPZZWJNTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O5/c1-29-19-12-15(13-20(30-2)21(19)31-3)23(28)26-18-10-8-17(9-11-18)25-22(27)14-4-6-16(24)7-5-14/h4-13H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide?
N-[4-[(4-bromobenzoyl)amino]phenyl]-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-[(4-bromobenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 15991063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).