3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C20H18ClN3O3 — CID 54809268

IUPAC3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H18ClN3O3/c21-15-5-2-6-16(11-15)22-13-19(25)24-17-7-1-4-14(10-17)20(26)23-12-18-8-3-9-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyWWLVPHUVSLOQAD-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.91
Rot. Bonds7

About 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54809268) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54809268
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H18ClN3O3/c21-15-5-2-6-16(11-15)22-13-19(25)24-17-7-1-4-14(10-17)20(26)23-12-18-8-3-9-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyWWLVPHUVSLOQAD-UHFFFAOYSA-N
XLogP3.91
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538
3-[[2-(3-chloro-4-methoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54819349
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834580

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54809268) is 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(CNc1cccc(Cl)c1)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WWLVPHUVSLOQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-15-5-2-6-16(11-15)22-13-19(25)24-17-7-1-4-14(10-17)20(26)23-12-18-8-3-9-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25).
What are the key properties of 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 383.84 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54809268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).