3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide

C20H16ClN3O2 — CID 133285914

IUPAC3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESN#Cc1cc(Cl)ccc1NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H16ClN3O2/c21-17-6-7-19(16(10-17)11-22)23-12-14-3-1-4-15(9-14)20(25)24-13-18-5-2-8-26-18/h1-10,23H,12-13H2,(H,24,25)
InChIKeyUXYQVWAJWCXXDP-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.35
Rot. Bonds6

About 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide

3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 133285914) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID133285914
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESN#Cc1cc(Cl)ccc1NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C20H16ClN3O2/c21-17-6-7-19(16(10-17)11-22)23-12-14-3-1-4-15(9-14)20(25)24-13-18-5-2-8-26-18/h1-10,23H,12-13H2,(H,24,25)
InChIKeyUXYQVWAJWCXXDP-UHFFFAOYSA-N
XLogP4.35
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-[3-[(4-chloro-2-cyanoanilino)methyl]phenyl]acetamide
CID 133285849
N-(furan-2-ylmethyl)-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133319105
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 60547044
3-[[(5-bromo-3-pyridinyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 133319102
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
3-[[[(2R)-2-amino-3-hydroxypropanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 167751843
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide (CID 133285914) is 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide is N#Cc1cc(Cl)ccc1NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is UXYQVWAJWCXXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-17-6-7-19(16(10-17)11-22)23-12-14-3-1-4-15(9-14)20(25)24-13-18-5-2-8-26-18/h1-10,23H,12-13H2,(H,24,25).
What are the key properties of 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide?
3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 365.82 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-cyanoanilino)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 133285914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).