2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C18H20Cl2N2O3 — CID 24542551

IUPAC2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1ccco1
InChIInChI=1S/C18H20Cl2N2O3/c1-11(2)16(18(24)21-8-7-13-4-3-9-25-13)22-17(23)14-6-5-12(19)10-15(14)20/h3-6,9-11,16H,7-8H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1
InChIKeyUFDBOLOLSJPZDS-INIZCTEOSA-N
MW383.28 g/mol
LogP3.70
Rot. Bonds7

About 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide

2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 24542551) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID24542551
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1ccco1
InChIInChI=1S/C18H20Cl2N2O3/c1-11(2)16(18(24)21-8-7-13-4-3-9-25-13)22-17(23)14-6-5-12(19)10-15(14)20/h3-6,9-11,16H,7-8H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1
InChIKeyUFDBOLOLSJPZDS-INIZCTEOSA-N
XLogP3.70
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]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-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
CID 134046490
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9042478
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
2,4-dichloro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497250
2,4-dichloro-N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-morpholin-4-ylbutyl]amino]-1-oxobutan-2-yl]benzamide
CID 25497257
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
2,4-dichloro-N-[3-methyl-1-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1-oxobutan-2-yl]benzamide
CID 24619933
2,4-dichloro-N-[(2S)-1-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 30954411
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 24542551) is 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCc1ccco1.
What is the InChIKey of 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is UFDBOLOLSJPZDS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-11(2)16(18(24)21-8-7-13-4-3-9-25-13)22-17(23)14-6-5-12(19)10-15(14)20/h3-6,9-11,16H,7-8H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 383.28 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24542551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).