2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C21H19ClN2O4 — CID 4938456

IUPAC2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN2O4/c1-14-11-15(22)8-9-19(14)28-13-20(25)24-18-7-3-2-6-17(18)21(26)23-12-16-5-4-10-27-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRZNBBBHXHZBMIL-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.19
Rot. Bonds7

About 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 4938456) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID4938456
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C21H19ClN2O4/c1-14-11-15(22)8-9-19(14)28-13-20(25)24-18-7-3-2-6-17(18)21(26)23-12-16-5-4-10-27-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRZNBBBHXHZBMIL-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34658669
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9229573
N-(furan-2-ylmethyl)-2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 4938414
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17051643
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 100711529
N'-[2-(4-chloro-2-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 2273531
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 4938456) is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RZNBBBHXHZBMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c1-14-11-15(22)8-9-19(14)28-13-20(25)24-18-7-3-2-6-17(18)21(26)23-12-16-5-4-10-27-16/h2-11H,12-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 398.85 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 4938456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).