N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide

C17H18Cl2N2O3 — CID 8547148

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H18Cl2N2O3/c1-17(2,3)21-15(22)9-20-16(23)14-7-6-13(24-14)11-8-10(18)4-5-12(11)19/h4-8H,9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNNQNZPUCOAMEAC-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 8547148) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID8547148
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H18Cl2N2O3/c1-17(2,3)21-15(22)9-20-16(23)14-7-6-13(24-14)11-8-10(18)4-5-12(11)19/h4-8H,9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNNQNZPUCOAMEAC-UHFFFAOYSA-N
XLogP3.90
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-5-chloro-2-hydrazinylbenzamide
CID 115357292
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
5-(2,5-dichlorophenyl)-N-[3-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2002810
N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5153944
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 11483373
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 17115679
5-(2-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide
CID 27895424
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
5-(2,4-dichlorophenyl)-N-hexylfuran-2-carboxamide
CID 3764379

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (CID 8547148) is N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is NNQNZPUCOAMEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-17(2,3)21-15(22)9-20-16(23)14-7-6-13(24-14)11-8-10(18)4-5-12(11)19/h4-8H,9H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 369.25 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 8547148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).