N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide

C19H17ClFNO3 — CID 18079985

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2c(F)cccc2Cl)oc2ccccc12
InChIInChI=1S/C19H17ClFNO3/c1-22(10-13-15(20)7-5-8-16(13)21)19(23)18-14(11-24-2)12-6-3-4-9-17(12)25-18/h3-9H,10-11H2,1-2H3
InChIKeyIDRILGRBJFIHHY-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.64
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 18079985) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID18079985
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)N(C)Cc2c(F)cccc2Cl)oc2ccccc12
InChIInChI=1S/C19H17ClFNO3/c1-22(10-13-15(20)7-5-8-16(13)21)19(23)18-14(11-24-2)12-6-3-4-9-17(12)25-18/h3-9H,10-11H2,1-2H3
InChIKeyIDRILGRBJFIHHY-UHFFFAOYSA-N
XLogP4.64
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551738
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19120210
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 31361245
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7639028
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide (CID 18079985) is N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide is COCc1c(C(=O)N(C)Cc2c(F)cccc2Cl)oc2ccccc12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IDRILGRBJFIHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c1-22(10-13-15(20)7-5-8-16(13)21)19(23)18-14(11-24-2)12-6-3-4-9-17(12)25-18/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18079985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).