N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

C16H19ClN2O2 — CID 119476472

IUPACN-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(N)CC2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H19ClN2O2/c1-9-13-8-10(17)2-7-14(13)21-15(9)16(20)19-12-5-3-11(18)4-6-12/h2,7-8,11-12H,3-6,18H2,1H3,(H,19,20)
InChIKeyUPFNVYHVPMRENN-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.39
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 119476472) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID119476472
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(N)CC2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H19ClN2O2/c1-9-13-8-10(17)2-7-14(13)21-15(9)16(20)19-12-5-3-11(18)4-6-12/h2,7-8,11-12H,3-6,18H2,1H3,(H,19,20)
InChIKeyUPFNVYHVPMRENN-UHFFFAOYSA-N
XLogP3.39
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 32527372
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
5-bromo-3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 3947407
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119523001
5-chloro-3-methyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119535509
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 119476472) is N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCC(N)CC2)oc2ccc(Cl)cc12.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is UPFNVYHVPMRENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-9-13-8-10(17)2-7-14(13)21-15(9)16(20)19-12-5-3-11(18)4-6-12/h2,7-8,11-12H,3-6,18H2,1H3,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119476472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).