N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide

C14H19Cl2N3O — CID 47090156

IUPACN-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-2-18-6-3-7-19(9-8-18)14(20)17-13-10-11(15)4-5-12(13)16/h4-5,10H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyGLRGOWZRTKIXGV-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.55
Rot. Bonds2

About N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide

N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide (PubChem CID 47090156) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
PubChem CID47090156
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-2-18-6-3-7-19(9-8-18)14(20)17-13-10-11(15)4-5-12(13)16/h4-5,10H,2-3,6-9H2,1H3,(H,17,20)
InChIKeyGLRGOWZRTKIXGV-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
methyl 2-[4-[(2,4-dichlorophenyl)carbamoyl]-1,4-diazepan-1-yl]acetate
CID 78896636
N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519706
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-acetyl-N-(4-chloro-2-ethylphenyl)-1,4-diazepane-1-carboxamide
CID 74240888
[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168715
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 108825604
N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108502879
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide (CID 47090156) is N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide is CCN1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide?
The InChIKey is GLRGOWZRTKIXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-2-18-6-3-7-19(9-8-18)14(20)17-13-10-11(15)4-5-12(13)16/h4-5,10H,2-3,6-9H2,1H3,(H,17,20).
What are the key properties of N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide?
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 47090156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).