5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide

C15H19ClN2O2 — CID 120652977

IUPAC5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C15H19ClN2O2/c1-4-17-9(2)8-18-15(19)14-10(3)12-7-11(16)5-6-13(12)20-14/h5-7,9,17H,4,8H2,1-3H3,(H,18,19)/t9-/m1/s1
InChIKeyCMVFFIJQWZJBEK-SECBINFHSA-N
MW294.78 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 120652977) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID120652977
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C15H19ClN2O2/c1-4-17-9(2)8-18-15(19)14-10(3)12-7-11(16)5-6-13(12)20-14/h5-7,9,17H,4,8H2,1-3H3,(H,18,19)/t9-/m1/s1
InChIKeyCMVFFIJQWZJBEK-SECBINFHSA-N
XLogP3.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 111441608
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367767
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
5-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 115884342
6-bromo-N-[(2R)-2-(ethylamino)propyl]-4-methyl-2-oxochromene-3-carboxamide
CID 120653517
5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119461945
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 62521908

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide (CID 120652977) is 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide is CCN[C@H](C)CNC(=O)c1oc2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CMVFFIJQWZJBEK-SECBINFHSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-4-17-9(2)8-18-15(19)14-10(3)12-7-11(16)5-6-13(12)20-14/h5-7,9,17H,4,8H2,1-3H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 120652977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).