N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide

C14H14ClNO3 — CID 33183396

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3/c1-10-13(6-8-18-10)14(17)16-7-9-19-12-4-2-11(15)3-5-12/h2-6,8H,7,9H2,1H3,(H,16,17)
InChIKeyRPKIBISYCFZDCS-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 33183396) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide
PubChem CID33183396
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3/c1-10-13(6-8-18-10)14(17)16-7-9-19-12-4-2-11(15)3-5-12/h2-6,8H,7,9H2,1H3,(H,16,17)
InChIKeyRPKIBISYCFZDCS-UHFFFAOYSA-N
XLogP3.05
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxyphenoxy)ethyl]-2-methylfuran-3-carboxamide
CID 46400217
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
N-[5-chloro-2-[3-(methylamino)propylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 119433464
2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32510530
N-[2-(4-chlorophenoxy)ethyl]-2,2-dimethylpropanamide
CID 56922590
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide (CID 33183396) is N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is RPKIBISYCFZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-10-13(6-8-18-10)14(17)16-7-9-19-12-4-2-11(15)3-5-12/h2-6,8H,7,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 279.72 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 33183396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).