2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide

C21H19BrN2O3 — CID 1078848

IUPAC2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C21H19BrN2O3/c1-13-7-5-8-14(2)18(13)23-21(26)19(17-11-6-12-27-17)24-20(25)15-9-3-4-10-16(15)22/h3-12,19H,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyGCJUDCFKWWKJAV-IBGZPJMESA-N
MW427.30 g/mol
LogP4.77
Rot. Bonds5

About 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide

2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide (PubChem CID 1078848) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide
PubChem CID1078848
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide
SMILESCc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1Br)c1ccco1
InChIInChI=1S/C21H19BrN2O3/c1-13-7-5-8-14(2)18(13)23-21(26)19(17-11-6-12-27-17)24-20(25)15-9-3-4-10-16(15)22/h3-12,19H,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyGCJUDCFKWWKJAV-IBGZPJMESA-N
XLogP4.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide 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

N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
CID 3308582
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
(2-methylphenyl)methyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate
CID 24566770
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
2-bromo-N-[1-(furan-2-yl)propan-2-yl]-3-methylbenzamide
CID 113338814
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103852810
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide (CID 1078848) is 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide is Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1Br)c1ccco1.
What is the InChIKey of 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide?
The InChIKey is GCJUDCFKWWKJAV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-13-7-5-8-14(2)18(13)23-21(26)19(17-11-6-12-27-17)24-20(25)15-9-3-4-10-16(15)22/h3-12,19H,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide?
2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide has a molecular weight of 427.30 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 1078848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).