N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide

C16H19ClN2O3 — CID 56817919

IUPACN-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)CN(C(=O)C1Cc2cc(Cl)ccc2O1)C1CCCC1
InChIInChI=1S/C16H19ClN2O3/c17-11-5-6-13-10(7-11)8-14(22-13)16(21)19(9-15(18)20)12-3-1-2-4-12/h5-7,12,14H,1-4,8-9H2,(H2,18,20)
InChIKeyROWJWTVUOHMKLL-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.90
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 56817919) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID56817919
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)CN(C(=O)C1Cc2cc(Cl)ccc2O1)C1CCCC1
InChIInChI=1S/C16H19ClN2O3/c17-11-5-6-13-10(7-11)8-14(22-13)16(21)19(9-15(18)20)12-3-1-2-4-12/h5-7,12,14H,1-4,8-9H2,(H2,18,20)
InChIKeyROWJWTVUOHMKLL-UHFFFAOYSA-N
XLogP1.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 56817919) is N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)CN(C(=O)C1Cc2cc(Cl)ccc2O1)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ROWJWTVUOHMKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-11-5-6-13-10(7-11)8-14(22-13)16(21)19(9-15(18)20)12-3-1-2-4-12/h5-7,12,14H,1-4,8-9H2,(H2,18,20).
What are the key properties of N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-chloro-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56817919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).