2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide

C16H17ClN2O3 — CID 113171850

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccco1)c1cc(Cl)ccc1C
InChIInChI=1S/C16H17ClN2O3/c1-11-5-6-13(17)8-15(11)19(12(2)20)10-16(21)18-9-14-4-3-7-22-14/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyFJKQPSVXZSBFAE-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.91
Rot. Bonds5

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 113171850) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID113171850
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccco1)c1cc(Cl)ccc1C
InChIInChI=1S/C16H17ClN2O3/c1-11-5-6-13(17)8-15(11)19(12(2)20)10-16(21)18-9-14-4-3-7-22-14/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyFJKQPSVXZSBFAE-UHFFFAOYSA-N
XLogP2.91
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
3-(N-acetyl-2,4-dichloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113133857
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113144050
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1137010
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
CID 113180649
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 113179129
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171880

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide (CID 113171850) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccco1)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FJKQPSVXZSBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-11-5-6-13(17)8-15(11)19(12(2)20)10-16(21)18-9-14-4-3-7-22-14/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113171850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).