N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide

C19H22Cl2N2O2 — CID 112503384

IUPACN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O2/c20-14-7-8-15(16(21)12-14)19(24)22-13-17(18-6-5-11-25-18)23-9-3-1-2-4-10-23/h5-8,11-12,17H,1-4,9-10,13H2,(H,22,24)
InChIKeyHEQRSRUZLHHULG-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.93
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide (PubChem CID 112503384) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
PubChem CID112503384
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC NameN-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
SMILESO=C(NCC(c1ccco1)N1CCCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N2O2/c20-14-7-8-15(16(21)12-14)19(24)22-13-17(18-6-5-11-25-18)23-9-3-1-2-4-10-23/h5-8,11-12,17H,1-4,9-10,13H2,(H,22,24)
InChIKeyHEQRSRUZLHHULG-UHFFFAOYSA-N
XLogP4.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
1-(2,4-dichlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 40952622
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
3-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 46605718
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17474547
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dichlorobenzamide
CID 16931838

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide (CID 112503384) is N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide is O=C(NCC(c1ccco1)N1CCCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide?
The InChIKey is HEQRSRUZLHHULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c20-14-7-8-15(16(21)12-14)19(24)22-13-17(18-6-5-11-25-18)23-9-3-1-2-4-10-23/h5-8,11-12,17H,1-4,9-10,13H2,(H,22,24).
What are the key properties of N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide?
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide has a molecular weight of 381.30 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 112503384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).