2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

C18H25ClN4O3 — CID 46453696

IUPAC2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCN(C)C(=O)CN1CCCN(C(=O)CNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN4O3/c1-21(2)17(25)13-22-8-5-9-23(11-10-22)16(24)12-20-18(26)14-6-3-4-7-15(14)19/h3-4,6-7H,5,8-13H2,1-2H3,(H,20,26)
InChIKeyNVAYEOJQZLWBOH-UHFFFAOYSA-N
MW380.88 g/mol
LogP0.69
Rot. Bonds5

About 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (PubChem CID 46453696) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
PubChem CID46453696
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCN(C)C(=O)CN1CCCN(C(=O)CNC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H25ClN4O3/c1-21(2)17(25)13-22-8-5-9-23(11-10-22)16(24)12-20-18(26)14-6-3-4-7-15(14)19/h3-4,6-7H,5,8-13H2,1-2H3,(H,20,26)
InChIKeyNVAYEOJQZLWBOH-UHFFFAOYSA-N
XLogP0.69
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46472867
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
2-methyl-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 46523795
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
2-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 43045470
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
2-chloro-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 31606677
2-chloro-N-[4-methylsulfanyl-1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 55376070
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (CID 46453696) is 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is CN(C)C(=O)CN1CCCN(C(=O)CNC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The InChIKey is NVAYEOJQZLWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-21(2)17(25)13-22-8-5-9-23(11-10-22)16(24)12-20-18(26)14-6-3-4-7-15(14)19/h3-4,6-7H,5,8-13H2,1-2H3,(H,20,26).
What are the key properties of 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide has a molecular weight of 380.88 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 46453696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).