N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide

C14H17ClN4O — CID 107808016

IUPACN-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCNCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN4O/c15-12-8-11(9-16)2-3-13(12)18-14(20)10-19-6-1-4-17-5-7-19/h2-3,8,17H,1,4-7,10H2,(H,18,20)
InChIKeyMZVNNXGHLSFZMK-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.45
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide

N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide (PubChem CID 107808016) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
PubChem CID107808016
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCNCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN4O/c15-12-8-11(9-16)2-3-13(12)18-14(20)10-19-6-1-4-17-5-7-19/h2-3,8,17H,1,4-7,10H2,(H,18,20)
InChIKeyMZVNNXGHLSFZMK-UHFFFAOYSA-N
XLogP1.45
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(4-cyano-2-nitrophenyl)-2-piperazin-1-ylacetamide
CID 78965169
N-(4-bromo-2,3-dichlorophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 107790106
N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62837229
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
N-(2-cyano-4-nitrophenyl)-2-piperazin-1-ylacetamide
CID 60710098
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
N-(5-bromo-2-chlorophenyl)-2-piperazin-1-ylacetamide
CID 62908578
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
N-(4-amino-2-chlorophenyl)-2-(3-oxo-1,4-diazepan-1-yl)acetamide
CID 65361365
N-(2-bromo-5-methylphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 82756955

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide (CID 107808016) is N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide is N#Cc1ccc(NC(=O)CN2CCCNCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide?
The InChIKey is MZVNNXGHLSFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c15-12-8-11(9-16)2-3-13(12)18-14(20)10-19-6-1-4-17-5-7-19/h2-3,8,17H,1,4-7,10H2,(H,18,20).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide?
N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide has a molecular weight of 292.77 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-(1,4-diazepan-1-yl)acetamide is sourced from PubChem (CID 107808016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).