2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide

C13H12ClNO3 — CID 106686697

IUPAC2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2ccoc2Cl)c1
InChIInChI=1S/C13H12ClNO3/c1-15(9-4-3-5-10(8-9)17-2)13(16)11-6-7-18-12(11)14/h3-8H,1-2H3
InChIKeyFTSCDMMEQFPYSD-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide

2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide (PubChem CID 106686697) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide
PubChem CID106686697
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)c2ccoc2Cl)c1
InChIInChI=1S/C13H12ClNO3/c1-15(9-4-3-5-10(8-9)17-2)13(16)11-6-7-18-12(11)14/h3-8H,1-2H3
InChIKeyFTSCDMMEQFPYSD-UHFFFAOYSA-N
XLogP3.22
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-methoxyphenyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226460
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
2-amino-3-fluoro-N-(3-methoxyphenyl)-N-methylpyridine-4-carboxamide
CID 105385330
4-fluoro-2-hydroxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107015204
3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107952292
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
5-chloro-N-(3-methoxyphenyl)-N-methyl-3-(methylamino)pyridine-2-carboxamide
CID 143610344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide (CID 106686697) is 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide is COc1cccc(N(C)C(=O)c2ccoc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide?
The InChIKey is FTSCDMMEQFPYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-15(9-4-3-5-10(8-9)17-2)13(16)11-6-7-18-12(11)14/h3-8H,1-2H3.
What are the key properties of 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide?
2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106686697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).