4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide

C19H20BrClN2O3 — CID 55673108

IUPAC4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)ccc2Br)cc1Cl
InChIInChI=1S/C19H20BrClN2O3/c1-4-23(5-2)19(25)14-8-6-12(10-17(14)21)22-18(24)15-11-13(26-3)7-9-16(15)20/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyKJJCFSZEPHDDLM-UHFFFAOYSA-N
MW439.74 g/mol
LogP4.85
Rot. Bonds6

About 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide

4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide (PubChem CID 55673108) has the molecular formula C19H20BrClN2O3 and a molecular weight of 439.74 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
PubChem CID55673108
Molecular FormulaC19H20BrClN2O3
Molecular Weight439.74 g/mol
Exact Mass438.03
IUPAC Name4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)ccc2Br)cc1Cl
InChIInChI=1S/C19H20BrClN2O3/c1-4-23(5-2)19(25)14-8-6-12(10-17(14)21)22-18(24)15-11-13(26-3)7-9-16(15)20/h6-11H,4-5H2,1-3H3,(H,22,24)
InChIKeyKJJCFSZEPHDDLM-UHFFFAOYSA-N
XLogP4.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 55673174
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
CID 60538091
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide?
The IUPAC name of 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide (CID 55673108) is 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)ccc2Br)cc1Cl.
What is the InChIKey of 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide?
The InChIKey is KJJCFSZEPHDDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O3/c1-4-23(5-2)19(25)14-8-6-12(10-17(14)21)22-18(24)15-11-13(26-3)7-9-16(15)20/h6-11H,4-5H2,1-3H3,(H,22,24).
What are the key properties of 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide?
4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide has a molecular weight of 439.74 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide is sourced from PubChem (CID 55673108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).