N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide

C14H14ClNO3 — CID 113102801

IUPACN-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1ccc(Cl)c(OCCNC(=O)c2ccco2)c1
InChIInChI=1S/C14H14ClNO3/c1-10-4-5-11(15)13(9-10)19-8-6-16-14(17)12-3-2-7-18-12/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyDQOGXHZYMRDIOP-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.05
Rot. Bonds5

About N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide

N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide (PubChem CID 113102801) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
PubChem CID113102801
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1ccc(Cl)c(OCCNC(=O)c2ccco2)c1
InChIInChI=1S/C14H14ClNO3/c1-10-4-5-11(15)13(9-10)19-8-6-16-14(17)12-3-2-7-18-12/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyDQOGXHZYMRDIOP-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-(2-chloro-4-fluorophenoxy)ethyl]furan-2-carboxamide
CID 113102920
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102822
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
N-[2-(2,3-dimethoxyphenoxy)ethyl]furan-2-carboxamide
CID 113101908
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
CID 174406685
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
2-(2-chloro-5-methylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113714
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
CID 112976796

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide (CID 113102801) is N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide is Cc1ccc(Cl)c(OCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is DQOGXHZYMRDIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-10-4-5-11(15)13(9-10)19-8-6-16-14(17)12-3-2-7-18-12/h2-5,7,9H,6,8H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide?
N-[2-(2-chloro-5-methylphenoxy)ethyl]furan-2-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-(2-chloro-5-methylphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 113102801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).