3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide

C22H27BrN2O4 — CID 46466063

IUPAC3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1OC
InChIInChI=1S/C22H27BrN2O4/c1-6-9-29-20-17(23)10-15(11-19(20)28-5)22(27)25-18-12-16(8-7-14(18)4)24-21(26)13(2)3/h7-8,10-13H,6,9H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyUZDICEFGSDRZKC-UHFFFAOYSA-N
MW463.37 g/mol
LogP5.40
Rot. Bonds8

About 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide

3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide (PubChem CID 46466063) has the molecular formula C22H27BrN2O4 and a molecular weight of 463.37 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
PubChem CID46466063
Molecular FormulaC22H27BrN2O4
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC Name3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1OC
InChIInChI=1S/C22H27BrN2O4/c1-6-9-29-20-17(23)10-15(11-19(20)28-5)22(27)25-18-12-16(8-7-14(18)4)24-21(26)13(2)3/h7-8,10-13H,6,9H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyUZDICEFGSDRZKC-UHFFFAOYSA-N
XLogP5.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.37
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide 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-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700666
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-5-methoxy-4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 35865220
3-bromo-N-(2,4-difluorophenyl)-5-methoxy-4-propoxybenzamide
CID 4814298
N-(2,5-dimethylphenyl)-3-iodo-5-methoxy-4-propoxybenzamide
CID 4033767
3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
CID 24535262
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide (CID 46466063) is 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide?
The InChIKey is UZDICEFGSDRZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O4/c1-6-9-29-20-17(23)10-15(11-19(20)28-5)22(27)25-18-12-16(8-7-14(18)4)24-21(26)13(2)3/h7-8,10-13H,6,9H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide?
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide has a molecular weight of 463.37 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 46466063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).