7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide

C17H16Cl2N2O3 — CID 11574180

IUPAC7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1Oc1cc(Cl)c(Cl)cc1O2
InChIInChI=1S/C17H16Cl2N2O3/c1-21(2)7-6-20-17(22)10-4-3-5-13-16(10)24-15-9-12(19)11(18)8-14(15)23-13/h3-5,8-9H,6-7H2,1-2H3,(H,20,22)
InChIKeyQUAUTJNPSHMSKO-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.18
Rot. Bonds4

About 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide

7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide (PubChem CID 11574180) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide.

Molecular Properties

Compound Name7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide
PubChem CID11574180
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c1Oc1cc(Cl)c(Cl)cc1O2
InChIInChI=1S/C17H16Cl2N2O3/c1-21(2)7-6-20-17(22)10-4-3-5-13-16(10)24-15-9-12(19)11(18)8-14(15)23-13/h3-5,8-9H,6-7H2,1-2H3,(H,20,22)
InChIKeyQUAUTJNPSHMSKO-UHFFFAOYSA-N
XLogP4.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide
CID 11638189
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 172646860
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
CID 113053783
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
The IUPAC name of 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide (CID 11574180) is 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide.
What is the SMILES notation for 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
The canonical SMILES for 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide is CN(C)CCNC(=O)c1cccc2c1Oc1cc(Cl)c(Cl)cc1O2.
What is the InChIKey of 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
The InChIKey is QUAUTJNPSHMSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-21(2)7-6-20-17(22)10-4-3-5-13-16(10)24-15-9-12(19)11(18)8-14(15)23-13/h3-5,8-9H,6-7H2,1-2H3,(H,20,22).
What are the key properties of 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide?
7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide has a molecular weight of 367.23 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide is sourced from PubChem (CID 11574180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).