N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide

C18H14Cl2N2O3 — CID 139721678

IUPACN-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(N)=O
InChIInChI=1S/C18H14Cl2N2O3/c1-9-11(8-15(21)23)10-4-2-7-14(17(10)25-9)22-18(24)16-12(19)5-3-6-13(16)20/h2-7H,8H2,1H3,(H2,21,23)(H,22,24)
InChIKeyRFJYHIFURPNUCV-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.33
Rot. Bonds4

About N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide

N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide (PubChem CID 139721678) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
PubChem CID139721678
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC NameN-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide
SMILESCc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(N)=O
InChIInChI=1S/C18H14Cl2N2O3/c1-9-11(8-15(21)23)10-4-2-7-14(17(10)25-9)22-18(24)16-12(19)5-3-6-13(16)20/h2-7H,8H2,1H3,(H2,21,23)(H,22,24)
InChIKeyRFJYHIFURPNUCV-UHFFFAOYSA-N
XLogP4.33
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[7-[(2,6-dichlorobenzoyl)amino]-2-methyl-1-benzofuran-3-yl]methyl acetate
CID 70198733
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-1-benzofuran-7-yl]benzamide
CID 139721691
2,6-dichloro-N-[2-methyl-3-(2-pyridin-2-ylethyl)-1-benzofuran-7-yl]benzamide
CID 139721707
2,4,6-trichloro-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70200090
N-[4-(2-amino-2-oxoethyl)-3-chloroquinolin-8-yl]-2,6-dichlorobenzamide
CID 19592480
2,6-dichloro-N-(2-methyl-3-pyridin-2-yl-1-benzofuran-7-yl)benzamide
CID 70201545
2,6-dichloro-3-[(dimethylamino)methyl]-N-(2,3-dimethyl-1-benzofuran-7-yl)benzamide
CID 70201589
3,6-dichloro-2-methoxy-N-(2-methyl-1,3-benzoxazol-7-yl)benzamide
CID 110358515
ethyl 3-[8-[(2,6-dichlorobenzoyl)amino]-3-ethylquinolin-4-yl]propanoate
CID 19592289
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063
(7-chloro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83907915
2,6-dichloro-N-(2,5-dimethylphenyl)benzamide
CID 3534518

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide (CID 139721678) is N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide is Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide?
The InChIKey is RFJYHIFURPNUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-9-11(8-15(21)23)10-4-2-7-14(17(10)25-9)22-18(24)16-12(19)5-3-6-13(16)20/h2-7H,8H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide?
N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide has a molecular weight of 377.23 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethyl)-2-methyl-1-benzofuran-7-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 139721678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).