7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C20H19ClN2O3 — CID 46436436

IUPAC7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-15-5-4-6-16(21)18(15)26-17(12)20(25)23(3)11-13-7-9-14(10-8-13)19(24)22-2/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyLEDADVNFRUJYRD-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.03
Rot. Bonds4

About 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 46436436) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID46436436
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2oc3c(Cl)cccc3c2C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-15-5-4-6-16(21)18(15)26-17(12)20(25)23(3)11-13-7-9-14(10-8-13)19(24)22-2/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyLEDADVNFRUJYRD-UHFFFAOYSA-N
XLogP4.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24542566
7-chloro-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 47100020
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 8964782
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 109388515
7-chloro-N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135767538
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
N-(2-amino-2-methylpropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119627028
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
2-chloro-N-[(2S)-1-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-1-oxopropan-2-yl]benzamide
CID 8965792
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 46436436) is 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2oc3c(Cl)cccc3c2C)cc1.
What is the InChIKey of 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is LEDADVNFRUJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-15-5-4-6-16(21)18(15)26-17(12)20(25)23(3)11-13-7-9-14(10-8-13)19(24)22-2/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46436436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).