N-(azepan-4-yl)-2,4-dichlorobenzamide

C13H16Cl2N2O — CID 105058883

IUPACN-(azepan-4-yl)-2,4-dichlorobenzamide
SMILESO=C(NC1CCCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-9-3-4-11(12(15)8-9)13(18)17-10-2-1-6-16-7-5-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)
InChIKeyXDPMSMWFIMQIRZ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.87
Rot. Bonds2

About N-(azepan-4-yl)-2,4-dichlorobenzamide

N-(azepan-4-yl)-2,4-dichlorobenzamide (PubChem CID 105058883) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(azepan-4-yl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2,4-dichlorobenzamide
PubChem CID105058883
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(azepan-4-yl)-2,4-dichlorobenzamide
SMILESO=C(NC1CCCNCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-9-3-4-11(12(15)8-9)13(18)17-10-2-1-6-16-7-5-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18)
InChIKeyXDPMSMWFIMQIRZ-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2,4-dichlorobenzamide?
The IUPAC name of N-(azepan-4-yl)-2,4-dichlorobenzamide (CID 105058883) is N-(azepan-4-yl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(azepan-4-yl)-2,4-dichlorobenzamide is O=C(NC1CCCNCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(azepan-4-yl)-2,4-dichlorobenzamide?
The InChIKey is XDPMSMWFIMQIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-9-3-4-11(12(15)8-9)13(18)17-10-2-1-6-16-7-5-10/h3-4,8,10,16H,1-2,5-7H2,(H,17,18).
What are the key properties of N-(azepan-4-yl)-2,4-dichlorobenzamide?
N-(azepan-4-yl)-2,4-dichlorobenzamide has a molecular weight of 287.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2,4-dichlorobenzamide is sourced from PubChem (CID 105058883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).