4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide

C19H21BrN2O2 — CID 55849221

IUPAC4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-3-4-18(23)22-16-8-5-14(6-9-16)12-21-19(24)17-10-7-15(20)11-13(17)2/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVIVVEYQXCNJUTB-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.43
Rot. Bonds6

About 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide

4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide (PubChem CID 55849221) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide
PubChem CID55849221
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-3-4-18(23)22-16-8-5-14(6-9-16)12-21-19(24)17-10-7-15(20)11-13(17)2/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVIVVEYQXCNJUTB-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide 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

4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide
CID 55826122
4-bromo-N-[(4-carbamothioylphenyl)methyl]-2-methylbenzamide
CID 62310631
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
N-[[4-(butanoylamino)phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60516002
N-[[4-(butanoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55781734
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide (CID 55849221) is 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide is CCCC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide?
The InChIKey is VIVVEYQXCNJUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-3-4-18(23)22-16-8-5-14(6-9-16)12-21-19(24)17-10-7-15(20)11-13(17)2/h5-11H,3-4,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide?
4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide has a molecular weight of 389.29 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 55849221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).