7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

C20H21ClN2O3 — CID 17434166

IUPAC7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccco2)N2CCCC2)oc2c(Cl)cccc12
InChIInChI=1S/C20H21ClN2O3/c1-13-14-6-4-7-15(21)19(14)26-18(13)20(24)22-12-16(17-8-5-11-25-17)23-9-2-3-10-23/h4-8,11,16H,2-3,9-10,12H2,1H3,(H,22,24)
InChIKeyRMFAZFTWAHQVGA-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.55
Rot. Bonds5

About 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17434166) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID17434166
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(c2ccco2)N2CCCC2)oc2c(Cl)cccc12
InChIInChI=1S/C20H21ClN2O3/c1-13-14-6-4-7-15(21)19(14)26-18(13)20(24)22-12-16(17-8-5-11-25-17)23-9-2-3-10-23/h4-8,11,16H,2-3,9-10,12H2,1H3,(H,22,24)
InChIKeyRMFAZFTWAHQVGA-UHFFFAOYSA-N
XLogP4.55
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4807750
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
5-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 29105864
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
5-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985339
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 17434166) is 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(c2ccco2)N2CCCC2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RMFAZFTWAHQVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13-14-6-4-7-15(21)19(14)26-18(13)20(24)22-12-16(17-8-5-11-25-17)23-9-2-3-10-23/h4-8,11,16H,2-3,9-10,12H2,1H3,(H,22,24).
What are the key properties of 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17434166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).