N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

C14H18Cl2N2O2 — CID 119523001

IUPACN-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C)CN)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C14H17ClN2O2.ClH/c1-8-10-6-9(15)4-5-11(10)19-12(8)13(18)17-14(2,3)7-16;/h4-6H,7,16H2,1-3H3,(H,17,18);1H
InChIKeyHWLQVVKJEMWQPZ-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.28
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119523001) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119523001
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)(C)CN)oc2ccc(Cl)cc12.Cl
InChIInChI=1S/C14H17ClN2O2.ClH/c1-8-10-6-9(15)4-5-11(10)19-12(8)13(18)17-14(2,3)7-16;/h4-6H,7,16H2,1-3H3,(H,17,18);1H
InChIKeyHWLQVVKJEMWQPZ-UHFFFAOYSA-N
XLogP3.28
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119204062
5-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 115884342
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 62521908
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367767
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
1-tert-butyl-3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9088908
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
5-chloro-N-[2-(ethylamino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17427942
5-chloro-3-methyl-N-(5-methylhexan-2-yl)-1-benzofuran-2-carboxamide
CID 16561047
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107067

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119523001) is N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)(C)CN)oc2ccc(Cl)cc12.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is HWLQVVKJEMWQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2.ClH/c1-8-10-6-9(15)4-5-11(10)19-12(8)13(18)17-14(2,3)7-16;/h4-6H,7,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 317.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119523001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).