2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide

C20H20Cl2N4O — CID 60511172

IUPAC2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESN#Cc1ccccc1N1CCCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H20Cl2N4O/c21-16-6-3-7-17(22)20(16)24-19(27)14-25-9-4-10-26(12-11-25)18-8-2-1-5-15(18)13-23/h1-3,5-8H,4,9-12,14H2,(H,24,27)
InChIKeyANJRCOUBWKKCLI-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.02
Rot. Bonds4

About 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide

2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 60511172) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide
PubChem CID60511172
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide
SMILESN#Cc1ccccc1N1CCCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H20Cl2N4O/c21-16-6-3-7-17(22)20(16)24-19(27)14-25-9-4-10-26(12-11-25)18-8-2-1-5-15(18)13-23/h1-3,5-8H,4,9-12,14H2,(H,24,27)
InChIKeyANJRCOUBWKKCLI-UHFFFAOYSA-N
XLogP4.02
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(3-methylphenyl)acetamide
CID 78896555
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetamide
CID 47055775
methyl 4-[[2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetyl]amino]benzoate
CID 60511148
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 94087208
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 51080693
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide
CID 47055801
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60510944
N-(3-chlorophenyl)-3-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]propanamide
CID 60500646
methyl 2-[[2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 60510846
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
2-(4-benzylpiperazin-1-yl)-N-(2,6-dichlorophenyl)acetamide
CID 2697466
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide (CID 60511172) is 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide is N#Cc1ccccc1N1CCCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is ANJRCOUBWKKCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c21-16-6-3-7-17(22)20(16)24-19(27)14-25-9-4-10-26(12-11-25)18-8-2-1-5-15(18)13-23/h1-3,5-8H,4,9-12,14H2,(H,24,27).
What are the key properties of 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide?
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 403.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 60511172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).