5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C19H17ClN2O3 — CID 59661959

IUPAC5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C19H17ClN2O3/c1-22(2)19(24)13-5-3-4-12(8-13)11-21-18(23)17-10-14-9-15(20)6-7-16(14)25-17/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyHUXMCMQGXXPWAP-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 59661959) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID59661959
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C19H17ClN2O3/c1-22(2)19(24)13-5-3-4-12(8-13)11-21-18(23)17-10-14-9-15(20)6-7-16(14)25-17/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyHUXMCMQGXXPWAP-UHFFFAOYSA-N
XLogP3.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
5-chloro-N-[(2-methylsulfanylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 11616917
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
5-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55798246
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 59661959) is 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is CN(C)C(=O)c1cccc(CNC(=O)c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is HUXMCMQGXXPWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-22(2)19(24)13-5-3-4-12(8-13)11-21-18(23)17-10-14-9-15(20)6-7-16(14)25-17/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59661959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).