2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide

C23H27ClN2O3 — CID 167782612

IUPAC2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-4-5-9-21-22(17-8-6-7-10-19(17)29-21)23(27)25-16-11-12-20(18(24)15-16)28-14-13-26(2)3/h6-8,10-12,15H,4-5,9,13-14H2,1-3H3,(H,25,27)
InChIKeyGFSRSXNSDJVVTJ-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.62
Rot. Bonds9

About 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide

2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 167782612) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide
PubChem CID167782612
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-4-5-9-21-22(17-8-6-7-10-19(17)29-21)23(27)25-16-11-12-20(18(24)15-16)28-14-13-26(2)3/h6-8,10-12,15H,4-5,9,13-14H2,1-3H3,(H,25,27)
InChIKeyGFSRSXNSDJVVTJ-UHFFFAOYSA-N
XLogP5.62
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide 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

2-butyl-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-1-benzofuran-3-carboxamide
CID 167935809
2-butyl-N-methyl-1-benzofuran-3-carboxamide
CID 141114520
2-butyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 166366369
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
N-[5-bromo-6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-2-butyl-1-benzofuran-3-carboxamide
CID 10229771
2-butyl-N-[6-(2H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1-benzofuran-3-carboxamide
CID 10160512
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 166208969
2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
CID 167847342
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
CID 119862026
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide (CID 167782612) is 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1.
What is the InChIKey of 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is GFSRSXNSDJVVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-4-5-9-21-22(17-8-6-7-10-19(17)29-21)23(27)25-16-11-12-20(18(24)15-16)28-14-13-26(2)3/h6-8,10-12,15H,4-5,9,13-14H2,1-3H3,(H,25,27).
What are the key properties of 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 414.93 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167782612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).