4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide

C19H26ClN3O2 — CID 139719699

IUPAC4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide
SMILESCN(C)C1(CCNC(=O)c2cc(Cl)c(N)c3ccoc23)CCCCC1
InChIInChI=1S/C19H26ClN3O2/c1-23(2)19(7-4-3-5-8-19)9-10-22-18(24)14-12-15(20)16(21)13-6-11-25-17(13)14/h6,11-12H,3-5,7-10,21H2,1-2H3,(H,22,24)
InChIKeyMBVKQOYBPGEMAN-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.05
Rot. Bonds5

About 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide

4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide (PubChem CID 139719699) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide
PubChem CID139719699
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide
SMILESCN(C)C1(CCNC(=O)c2cc(Cl)c(N)c3ccoc23)CCCCC1
InChIInChI=1S/C19H26ClN3O2/c1-23(2)19(7-4-3-5-8-19)9-10-22-18(24)14-12-15(20)16(21)13-6-11-25-17(13)14/h6,11-12H,3-5,7-10,21H2,1-2H3,(H,22,24)
InChIKeyMBVKQOYBPGEMAN-UHFFFAOYSA-N
XLogP4.05
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139719681
N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-2,4-dihydroxybenzamide
CID 139719646
4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
CID 10689599
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082
6-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 139719677
4-amino-5-chloro-N-[[3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-benzofuran-7-carboxamide
CID 122455043
tert-butyl 2-[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]-2-(4-hydroxypiperidin-4-yl)acetate
CID 175055665
4-amino-5-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-1-benzofuran-7-carboxamide;hydrochloride
CID 23627252
2-chloro-5-(diethylsulfamoyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 9119785
2-[3-[6-[[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-hydroxy-2-methylpropoxy]-3-hydroxybutanedioic acid
CID 134274258
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924344
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-fluorobenzamide
CID 83107917

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide (CID 139719699) is 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide is CN(C)C1(CCNC(=O)c2cc(Cl)c(N)c3ccoc23)CCCCC1.
What is the InChIKey of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide?
The InChIKey is MBVKQOYBPGEMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-23(2)19(7-4-3-5-8-19)9-10-22-18(24)14-12-15(20)16(21)13-6-11-25-17(13)14/h6,11-12H,3-5,7-10,21H2,1-2H3,(H,22,24).
What are the key properties of 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide?
4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-[1-(dimethylamino)cyclohexyl]ethyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 139719699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).