N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide

C14H13ClN2O3 — CID 47109152

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H13ClN2O3/c1-9-2-7-12(20-9)14(19)16-8-13(18)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyZNDWWAQYGOUPQU-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.61
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide (PubChem CID 47109152) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
PubChem CID47109152
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H13ClN2O3/c1-9-2-7-12(20-9)14(19)16-8-13(18)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyZNDWWAQYGOUPQU-UHFFFAOYSA-N
XLogP2.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 2991250
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-chlorophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996792
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[[4-(carbamoylamino)phenyl]methyl]-5-methylfuran-2-carboxamide
CID 47141294
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944389
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-[2-(4-chloroanilino)-2-oxoethyl]-4-methylthiophene-3-carboxamide
CID 122146631
2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
CID 113001347
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide (CID 47109152) is N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
The InChIKey is ZNDWWAQYGOUPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9-2-7-12(20-9)14(19)16-8-13(18)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 47109152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).