3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

C22H25BrN2O4 — CID 5010207

IUPAC3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CN(C(=O)c1cccc(Br)c1)C1CC1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C22H25BrN2O4/c23-17-5-1-4-16(12-17)22(27)25(18-8-9-18)15-21(26)24(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,18,20H,3,7-9,11,13-15H2
InChIKeyORUWNQMNLFCWQL-UHFFFAOYSA-N
MW461.36 g/mol
LogP3.85
Rot. Bonds8

About 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide

3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 5010207) has the molecular formula C22H25BrN2O4 and a molecular weight of 461.36 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID5010207
Molecular FormulaC22H25BrN2O4
Molecular Weight461.36 g/mol
Exact Mass460.10
IUPAC Name3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CN(C(=O)c1cccc(Br)c1)C1CC1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C22H25BrN2O4/c23-17-5-1-4-16(12-17)22(27)25(18-8-9-18)15-21(26)24(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,18,20H,3,7-9,11,13-15H2
InChIKeyORUWNQMNLFCWQL-UHFFFAOYSA-N
XLogP3.85
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-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-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058846
N-cyclopropyl-3-fluoro-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 1058845
N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 3495041
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1058827
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 1058832
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 7297141
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 93110151
(E)-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 7430792
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 5010207) is 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is O=C(CN(C(=O)c1cccc(Br)c1)C1CC1)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is ORUWNQMNLFCWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O4/c23-17-5-1-4-16(12-17)22(27)25(18-8-9-18)15-21(26)24(13-19-6-2-10-28-19)14-20-7-3-11-29-20/h1-2,4-6,10,12,18,20H,3,7-9,11,13-15H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 461.36 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 5010207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).