3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide

C17H15Br2ClN2O3 — CID 17117679

IUPAC3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1
InChIInChI=1S/C17H15Br2ClN2O3/c1-3-15(23)21-10-4-5-13(20)14(8-10)22-17(24)11-6-9(18)7-12(19)16(11)25-2/h4-8H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGHDPYJXEGUTBGC-UHFFFAOYSA-N
MW490.58 g/mol
LogP5.47
Rot. Bonds5

About 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide

3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide (PubChem CID 17117679) has the molecular formula C17H15Br2ClN2O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
PubChem CID17117679
Molecular FormulaC17H15Br2ClN2O3
Molecular Weight490.58 g/mol
Exact Mass487.91
IUPAC Name3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1
InChIInChI=1S/C17H15Br2ClN2O3/c1-3-15(23)21-10-4-5-13(20)14(8-10)22-17(24)11-6-9(18)7-12(19)16(11)25-2/h4-8H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGHDPYJXEGUTBGC-UHFFFAOYSA-N
XLogP5.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-chloro-5-(propanoylamino)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 1255864
3,5-dibromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 22777208
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 17111223
3,5-dichloro-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17109734
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-methylpropoxy)benzamide
CID 17174598
N-[5-(butanoylamino)-2-chlorophenyl]-2-methoxybenzamide
CID 960096
4-chloro-3-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
CID 4506185
3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
CID 26019445
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
3,5-dibromo-2-methoxy-N-(2-methoxyphenyl)benzamide
CID 3948715

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide (CID 17117679) is 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)cc(Br)c2OC)c1.
What is the InChIKey of 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide?
The InChIKey is GHDPYJXEGUTBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2ClN2O3/c1-3-15(23)21-10-4-5-13(20)14(8-10)22-17(24)11-6-9(18)7-12(19)16(11)25-2/h4-8H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide?
3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide has a molecular weight of 490.58 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17117679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).