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

C14H13ClN2O3 — CID 1252875

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H13ClN2O3/c1-9-10(15)4-2-5-11(9)17-13(18)8-16-14(19)12-6-3-7-20-12/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyIHQZDKJMWKILAC-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.61
Rot. Bonds4

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

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 1252875) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID1252875
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C14H13ClN2O3/c1-9-10(15)4-2-5-11(9)17-13(18)8-16-14(19)12-6-3-7-20-12/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyIHQZDKJMWKILAC-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide (CID 1252875) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is IHQZDKJMWKILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-9-10(15)4-2-5-11(9)17-13(18)8-16-14(19)12-6-3-7-20-12/h2-7H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]furan-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-(3-chloro-2-methylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1252875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).