2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide

C21H19ClN2O4 — CID 4932109

IUPAC2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN2O4/c1-14(28-19-11-5-3-9-17(19)22)20(25)24-18-10-4-2-8-16(18)21(26)23-13-15-7-6-12-27-15/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyVZCMYZXHMBASAF-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.27
Rot. Bonds7

About 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide

2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 4932109) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID4932109
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN2O4/c1-14(28-19-11-5-3-9-17(19)22)20(25)24-18-10-4-2-8-16(18)21(26)23-13-15-7-6-12-27-15/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyVZCMYZXHMBASAF-UHFFFAOYSA-N
XLogP4.27
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86925216
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
CID 87018409
N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
CID 86928259
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 100711529
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide (CID 4932109) is 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is VZCMYZXHMBASAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-14(28-19-11-5-3-9-17(19)22)20(25)24-18-10-4-2-8-16(18)21(26)23-13-15-7-6-12-27-15/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 398.85 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 4932109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).