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

C21H19ClN2O3 — CID 34907655

IUPAC3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-23-20(25)16-9-7-15(8-10-16)13-24(14-19-6-3-11-27-19)21(26)17-4-2-5-18(22)12-17/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyXYOPZDOQARWYEQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.14
Rot. Bonds6

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

3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 34907655) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID34907655
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O3/c1-23-20(25)16-9-7-15(8-10-16)13-24(14-19-6-3-11-27-19)21(26)17-4-2-5-18(22)12-17/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyXYOPZDOQARWYEQ-UHFFFAOYSA-N
XLogP4.14
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 34907709
4-[[furan-2-ylmethyl-[3-(furan-2-yl)propanoyl]amino]methyl]-N-methylbenzamide
CID 37433435
3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3355017
4-[[[2-(dibenzylamino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide
CID 30798139
N-(furan-2-ylmethyl)-2-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-nitropyridine-3-carboxamide
CID 86925746
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60567345
1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-methylthiourea
CID 17369190
N-benzyl-1-(3-chlorophenyl)-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 55874837
1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62629516
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 34907655) is 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is XYOPZDOQARWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-23-20(25)16-9-7-15(8-10-16)13-24(14-19-6-3-11-27-19)21(26)17-4-2-5-18(22)12-17/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 34907655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).