2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide

C17H19Cl2N3O3 — CID 18417047

IUPAC2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide
SMILESCOc1cc(Cl)c(C(=O)NC2CCCCC2C(=O)NCC#N)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3O3/c1-25-10-8-12(18)15(13(19)9-10)17(24)22-14-5-3-2-4-11(14)16(23)21-7-6-20/h8-9,11,14H,2-5,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyBIQADLKOUXEQAU-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.93
Rot. Bonds5

About 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide

2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide (PubChem CID 18417047) has the molecular formula C17H19Cl2N3O3 and a molecular weight of 384.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide
PubChem CID18417047
Molecular FormulaC17H19Cl2N3O3
Molecular Weight384.26 g/mol
Exact Mass383.08
IUPAC Name2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide
SMILESCOc1cc(Cl)c(C(=O)NC2CCCCC2C(=O)NCC#N)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3O3/c1-25-10-8-12(18)15(13(19)9-10)17(24)22-14-5-3-2-4-11(14)16(23)21-7-6-20/h8-9,11,14H,2-5,7H2,1H3,(H,21,23)(H,22,24)
InChIKeyBIQADLKOUXEQAU-UHFFFAOYSA-N
XLogP2.93
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 18417010
5-chloro-N-[(1R,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-2-methoxybenzamide
CID 87983811
2-chloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-5-methylsulfanylbenzamide
CID 18417005
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-5-carboxamide
CID 20740205
(3-nitrophenyl)methyl N-[(1R,2S)-2-(cyanomethylcarbamoyl)cyclohexyl]carbamate
CID 87984188
cis-(1R,2R)-N-(cyanomethyl)-2-[(4-methoxyphenyl)sulfanylmethyl]cyclohexane-1-carboxamide
CID 10308576
cis-(1R,2R)-N-(cyanomethyl)-2-[(3,4-dichlorophenyl)sulfonylmethyl]cyclohexane-1-carboxamide
CID 87700011
N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 11373344
cis-(1R,2R)-N-(cyanomethyl)-2-[(2,5-dichlorophenyl)sulfanylmethyl]cyclohexane-1-carboxamide
CID 11530527
cis-(1R,2R)-2-[(4-chlorophenyl)sulfonylmethyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 87700578
2-butyl-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-1H-indole-6-carboxamide
CID 20732571
N-(cyanomethyl)-2-[(2,4-dichlorophenyl)methylsulfanylmethyl]cyclohexane-1-carboxamide
CID 85078671

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide?
The IUPAC name of 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide (CID 18417047) is 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide is COc1cc(Cl)c(C(=O)NC2CCCCC2C(=O)NCC#N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide?
The InChIKey is BIQADLKOUXEQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-25-10-8-12(18)15(13(19)9-10)17(24)22-14-5-3-2-4-11(14)16(23)21-7-6-20/h8-9,11,14H,2-5,7H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide?
2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide has a molecular weight of 384.26 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(cyanomethylcarbamoyl)cyclohexyl]-4-methoxybenzamide is sourced from PubChem (CID 18417047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).