N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide

C15H15ClN2O4 — CID 6490921

IUPACN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1ccco1
InChIInChI=1S/C15H15ClN2O4/c16-11-4-1-2-5-12(11)22-10-14(19)17-7-8-18-15(20)13-6-3-9-21-13/h1-6,9H,7-8,10H2,(H,17,19)(H,18,20)
InChIKeyARXMYHIOMKZPSI-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.86
Rot. Bonds7

About N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide

N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide (PubChem CID 6490921) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide
PubChem CID6490921
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1ccco1
InChIInChI=1S/C15H15ClN2O4/c16-11-4-1-2-5-12(11)22-10-14(19)17-7-8-18-15(20)13-6-3-9-21-13/h1-6,9H,7-8,10H2,(H,17,19)(H,18,20)
InChIKeyARXMYHIOMKZPSI-UHFFFAOYSA-N
XLogP1.86
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N,N-diethyl-2-furamide
CID 717151
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-[2-(4-chlorophenoxy)ethyl]furan-2-carboxamide
CID 2302650
N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
CID 2305621
1-(2-Furoyl)piperazine Hydrochloride
CID 12289910
5-[(2,5-dichlorophenoxy)methyl]-N-isopropyl-2-furamide
CID 891619
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
N-[2-(3-chloroanilino)-2-oxoethyl]furan-2-carboxamide
CID 2444301
{2-[(Furan-2-carbonyl)-amino]-acetylamino}-acetic acid 2-chloro-benzyl ester
CID 3158556
N-(2-{[(2,4-dichlorophenyl)carbonyl]amino}ethyl)furan-2-carboxamide
CID 6490898
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)-2-furamide
CID 6490920
2-(2,4-dichlorophenoxy)-N-(2-furanylmethyl)acetamide
CID 644503

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide (CID 6490921) is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide is O=C(COc1ccccc1Cl)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is ARXMYHIOMKZPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c16-11-4-1-2-5-12(11)22-10-14(19)17-7-8-18-15(20)13-6-3-9-21-13/h1-6,9H,7-8,10H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6490921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).