N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide

C18H23ClN2O3 — CID 167789826

IUPACN-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNC(=O)CC1CCC(CNC(=O)c2cc(Cl)cc3c2OCC3)CC1
InChIInChI=1S/C18H23ClN2O3/c19-14-8-13-5-6-24-17(13)15(9-14)18(23)21-10-12-3-1-11(2-4-12)7-16(20)22/h8-9,11-12H,1-7,10H2,(H2,20,22)(H,21,23)
InChIKeyFLIUQSJYYGUJNE-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.69
Rot. Bonds5

About N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide

N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 167789826) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID167789826
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC NameN-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNC(=O)CC1CCC(CNC(=O)c2cc(Cl)cc3c2OCC3)CC1
InChIInChI=1S/C18H23ClN2O3/c19-14-8-13-5-6-24-17(13)15(9-14)18(23)21-10-12-3-1-11(2-4-12)7-16(20)22/h8-9,11-12H,1-7,10H2,(H2,20,22)(H,21,23)
InChIKeyFLIUQSJYYGUJNE-UHFFFAOYSA-N
XLogP2.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide with MolForge

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103162590
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-cycloheptylmethanone
CID 113425372
N-[(3-amino-1-butylpiperidin-4-yl)methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide
CID 23291419
4-chloro-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)butan-1-one
CID 105400931
2-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-oxoethoxy]acetic acid
CID 104545039
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(oxan-2-yl)methanone
CID 104544537
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
6-chloro-N-[2-(4-ethylphenyl)ethyl]-3,4-dihydro-2H-chromene-8-carboxamide
CID 158603842
4-amino-5-chloro-N-[[1-(3,3-dimethoxypropyl)piperidin-4-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 70303119
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-piperidin-3-ylmethanone
CID 104545052

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide (CID 167789826) is N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide is NC(=O)CC1CCC(CNC(=O)c2cc(Cl)cc3c2OCC3)CC1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is FLIUQSJYYGUJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-14-8-13-5-6-24-17(13)15(9-14)18(23)21-10-12-3-1-11(2-4-12)7-16(20)22/h8-9,11-12H,1-7,10H2,(H2,20,22)(H,21,23).
What are the key properties of N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethyl)cyclohexyl]methyl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 167789826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).