7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide

C18H14ClF2NO4 — CID 55539961

IUPAC7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1OC(F)F
InChIInChI=1S/C18H14ClF2NO4/c1-9-11-4-3-5-12(19)16(11)26-15(9)17(23)22-10-6-7-13(24-2)14(8-10)25-18(20)21/h3-8,18H,1-2H3,(H,22,23)
InChIKeyPAFJNEWXTHQVHY-UHFFFAOYSA-N
MW381.76 g/mol
LogP5.26
Rot. Bonds5

About 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55539961) has the molecular formula C18H14ClF2NO4 and a molecular weight of 381.76 g/mol. Its IUPAC name is 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55539961
Molecular FormulaC18H14ClF2NO4
Molecular Weight381.76 g/mol
Exact Mass381.06
IUPAC Name7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1OC(F)F
InChIInChI=1S/C18H14ClF2NO4/c1-9-11-4-3-5-12(19)16(11)26-15(9)17(23)22-10-6-7-13(24-2)14(8-10)25-18(20)21/h3-8,18H,1-2H3,(H,22,23)
InChIKeyPAFJNEWXTHQVHY-UHFFFAOYSA-N
XLogP5.26
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.76
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
3-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]benzamide
CID 38082386
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
7-chloro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzofuran-2-carboxamide
CID 7924968
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19415824
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
N-(2,3-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 31418500
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-[3-(difluoromethoxy)-4-methoxyanilino]acetamide
CID 25332759

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 55539961) is 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3c(Cl)cccc3c2C)cc1OC(F)F.
What is the InChIKey of 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PAFJNEWXTHQVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2NO4/c1-9-11-4-3-5-12(19)16(11)26-15(9)17(23)22-10-6-7-13(24-2)14(8-10)25-18(20)21/h3-8,18H,1-2H3,(H,22,23).
What are the key properties of 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 381.76 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55539961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).