3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide

C19H22Cl2N2O2 — CID 23349703

IUPAC3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide
SMILESCN(Cc1ccco1)C1CCCCC1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(12-14-5-4-10-25-14)18-7-3-2-6-17(18)22-19(24)13-8-9-15(20)16(21)11-13/h4-5,8-11,17-18H,2-3,6-7,12H2,1H3,(H,22,24)
InChIKeyLYYHISMSDOPYHU-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.76
Rot. Bonds5

About 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide

3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide (PubChem CID 23349703) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide
PubChem CID23349703
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide
SMILESCN(Cc1ccco1)C1CCCCC1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(12-14-5-4-10-25-14)18-7-3-2-6-17(18)22-19(24)13-8-9-15(20)16(21)11-13/h4-5,8-11,17-18H,2-3,6-7,12H2,1H3,(H,22,24)
InChIKeyLYYHISMSDOPYHU-UHFFFAOYSA-N
XLogP4.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[(1R,2R)-2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide
CID 22807733
3,4-dichloro-N-[(1R,2R)-2-[methyl(2-phenylethyl)amino]cyclohexyl]benzamide
CID 54000484
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
3,4-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 18417010
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112818770
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide (CID 23349703) is 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide is CN(Cc1ccco1)C1CCCCC1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide?
The InChIKey is LYYHISMSDOPYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-23(12-14-5-4-10-25-14)18-7-3-2-6-17(18)22-19(24)13-8-9-15(20)16(21)11-13/h4-5,8-11,17-18H,2-3,6-7,12H2,1H3,(H,22,24).
What are the key properties of 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide?
3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide has a molecular weight of 381.30 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[furan-2-ylmethyl(methyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 23349703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).