N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

C16H16Cl2N2O3 — CID 55867498

IUPACN-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-10-12(6-8-23-10)16(22)20-9-14(21)19-7-5-11-3-2-4-13(17)15(11)18/h2-4,6,8H,5,7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZYXRXBAQEHQJFA-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.98
Rot. Bonds6

About N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 55867498) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID55867498
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O3/c1-10-12(6-8-23-10)16(22)20-9-14(21)19-7-5-11-3-2-4-13(17)15(11)18/h2-4,6,8H,5,7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZYXRXBAQEHQJFA-UHFFFAOYSA-N
XLogP2.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 27859031
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
5-bromo-N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 55866728
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]furan-3-carboxamide
CID 55826561
2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
N-[2-[2-(4-benzylpiperazin-1-yl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55841381
2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55837756
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
N-[4-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 60510799
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324
3-[2-[(2-methylfuran-3-carbonyl)amino]ethyl]benzoic acid
CID 63793514

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 55867498) is N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)NCCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is ZYXRXBAQEHQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-10-12(6-8-23-10)16(22)20-9-14(21)19-7-5-11-3-2-4-13(17)15(11)18/h2-4,6,8H,5,7,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 355.22 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55867498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).