N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide

C17H14BrCl3N2O3 — CID 21343973

IUPACN-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide
SMILESCC(CBr)C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H14BrCl3N2O3/c1-8(7-18)16(25)22-13-6-15(24)14(5-12(13)21)23-17(26)9-2-3-10(19)11(20)4-9/h2-6,8,24H,7H2,1H3,(H,22,25)(H,23,26)
InChIKeyOGQYQPOOMSZIND-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.57
Rot. Bonds5

About N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide

N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide (PubChem CID 21343973) has the molecular formula C17H14BrCl3N2O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide
PubChem CID21343973
Molecular FormulaC17H14BrCl3N2O3
Molecular Weight480.57 g/mol
Exact Mass477.93
IUPAC NameN-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide
SMILESCC(CBr)C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C17H14BrCl3N2O3/c1-8(7-18)16(25)22-13-6-15(24)14(5-12(13)21)23-17(26)9-2-3-10(19)11(20)4-9/h2-6,8,24H,7H2,1H3,(H,22,25)(H,23,26)
InChIKeyOGQYQPOOMSZIND-UHFFFAOYSA-N
XLogP5.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[5-chloro-2-hydroxy-4-[3-[(4-methylphenyl)sulfonylamino]butanoylamino]phenyl]benzamide
CID 59943232
3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]benzamide
CID 54288614
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-[4-(2-methyloctoxy)phenyl]sulfonylbutanoylamino]phenyl]benzamide
CID 59940425
N-[5-chloro-2-hydroxy-4-[2-(4-methoxyphenyl)sulfonylpropanoylamino]phenyl]-1-methylindazole-6-carboxamide
CID 59940402
3-chloro-N-[5-chloro-2-hydroxy-4-[2-(2-methylpyrimidin-5-yl)sulfonylbutanoylamino]phenyl]-4-fluorobenzamide
CID 59935585
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-4-methylbenzamide;3,4-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]benzamide;bis(N-[2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-3-methylbenzamide)
CID 91365378
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide
CID 5014387

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide (CID 21343973) is N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide is CC(CBr)C(=O)Nc1cc(O)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide?
The InChIKey is OGQYQPOOMSZIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl3N2O3/c1-8(7-18)16(25)22-13-6-15(24)14(5-12(13)21)23-17(26)9-2-3-10(19)11(20)4-9/h2-6,8,24H,7H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide?
N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide has a molecular weight of 480.57 g/mol, XLogP of 5.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-2-methylpropanoyl)amino]-5-chloro-2-hydroxyphenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 21343973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).