N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide

C15H15ClN2O3 — CID 27859031

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H15ClN2O3/c1-9-12(16)4-3-5-13(9)18-14(19)8-17-15(20)11-6-7-21-10(11)2/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHKLSNSDVPIBKPP-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 27859031) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID27859031
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H15ClN2O3/c1-9-12(16)4-3-5-13(9)18-14(19)8-17-15(20)11-6-7-21-10(11)2/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHKLSNSDVPIBKPP-UHFFFAOYSA-N
XLogP2.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690693
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
CID 112997974
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 27859031) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is HKLSNSDVPIBKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9-12(16)4-3-5-13(9)18-14(19)8-17-15(20)11-6-7-21-10(11)2/h3-7H,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 27859031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).