N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide

C16H17ClN2O4 — CID 6490920

IUPACN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCCNC(=O)c1ccco1
InChIInChI=1S/C16H17ClN2O4/c17-12-5-1-2-6-13(12)23-11-15(20)18-8-4-9-19-16(21)14-7-3-10-22-14/h1-3,5-7,10H,4,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyBFMKKZNDJZUWJF-UHFFFAOYSA-N
MW336.77 g/mol
LogP2.25
Rot. Bonds8

About N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide

N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide (PubChem CID 6490920) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.77 g/mol. Its IUPAC name is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide
PubChem CID6490920
Molecular FormulaC16H17ClN2O4
Molecular Weight336.77 g/mol
Exact Mass336.09
IUPAC NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCCNC(=O)c1ccco1
InChIInChI=1S/C16H17ClN2O4/c17-12-5-1-2-6-13(12)23-11-15(20)18-8-4-9-19-16(21)14-7-3-10-22-14/h1-3,5-7,10H,4,8-9,11H2,(H,18,20)(H,19,21)
InChIKeyBFMKKZNDJZUWJF-UHFFFAOYSA-N
XLogP2.25
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 52.25
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
5-[(2,5-dichlorophenoxy)methyl]-N-isopropyl-2-furamide
CID 891619
N-[2-[(2-chlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 2206515
{2-[(Furan-2-carbonyl)-amino]-acetylamino}-acetic acid 2-chloro-benzyl ester
CID 3158556
N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6463437
N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6464004
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)furan-2-carboxamide
CID 6490921
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 9108887
2-(2,4-dichlorophenoxy)-N-(2-furanylmethyl)acetamide
CID 644503

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide (CID 6490920) is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide is O=C(COc1ccccc1Cl)NCCCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide?
The InChIKey is BFMKKZNDJZUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c17-12-5-1-2-6-13(12)23-11-15(20)18-8-4-9-19-16(21)14-7-3-10-22-14/h1-3,5-7,10H,4,8-9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide?
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide has a molecular weight of 336.77 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]furan-2-carboxamide is sourced from PubChem (CID 6490920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).