5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide

C21H23ClN2O2 — CID 72713397

IUPAC5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C21H23ClN2O2/c1-4-17-18-13-15(22)7-10-19(18)26-20(17)21(25)23-12-11-14-5-8-16(9-6-14)24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyRNPZTWOEGAMLLX-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.69
Rot. Bonds6

About 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide

5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide (PubChem CID 72713397) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide
PubChem CID72713397
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C21H23ClN2O2/c1-4-17-18-13-15(22)7-10-19(18)26-20(17)21(25)23-12-11-14-5-8-16(9-6-14)24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,25)
InChIKeyRNPZTWOEGAMLLX-UHFFFAOYSA-N
XLogP4.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 53358422
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
3-Amino-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 1083209
(2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648344
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 9980998
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
(S)-2-{4''-[(5-Chloro-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
CID 11421151
N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-fluorobutyl)-benzofuran-2-carboxamide
CID 53248209

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide (CID 72713397) is 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide is CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide?
The InChIKey is RNPZTWOEGAMLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-4-17-18-13-15(22)7-10-19(18)26-20(17)21(25)23-12-11-14-5-8-16(9-6-14)24(2)3/h5-10,13H,4,11-12H2,1-3H3,(H,23,25).
What are the key properties of 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide?
5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 72713397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).