N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide

C17H21ClN2O2 — CID 119610668

IUPACN-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2CN)oc2ccc(Cl)cc12
InChIInChI=1S/C17H21ClN2O2/c1-10-13-8-12(18)6-7-15(13)22-16(10)17(21)20-14-5-3-2-4-11(14)9-19/h6-8,11,14H,2-5,9,19H2,1H3,(H,20,21)
InChIKeyAEGIGLIAMKMENM-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.64
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide

N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 119610668) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID119610668
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCCC2CN)oc2ccc(Cl)cc12
InChIInChI=1S/C17H21ClN2O2/c1-10-13-8-12(18)6-7-15(13)22-16(10)17(21)20-14-5-3-2-4-11(14)9-19/h6-8,11,14H,2-5,9,19H2,1H3,(H,20,21)
InChIKeyAEGIGLIAMKMENM-UHFFFAOYSA-N
XLogP3.64
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 110279135
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119523001
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
N-[2-(aminomethyl)cyclopentyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 119605187
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 32527372
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 119610668) is N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCCC2CN)oc2ccc(Cl)cc12.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AEGIGLIAMKMENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-10-13-8-12(18)6-7-15(13)22-16(10)17(21)20-14-5-3-2-4-11(14)9-19/h6-8,11,14H,2-5,9,19H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119610668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).