3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide

C14H19Cl2N3O2 — CID 108570671

IUPAC3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O2/c1-3-19(4-2)14(21)18-8-7-17-13(20)10-5-6-11(15)12(16)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySBBAUQKYOFRILK-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.77
Rot. Bonds6

About 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide

3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide (PubChem CID 108570671) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
PubChem CID108570671
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O2/c1-3-19(4-2)14(21)18-8-7-17-13(20)10-5-6-11(15)12(16)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySBBAUQKYOFRILK-UHFFFAOYSA-N
XLogP2.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
4-bromo-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108571340
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[2-(3-chloropropanoylamino)ethyl]benzamide
CID 108570669
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide (CID 108570671) is 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide is CCN(CC)C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide?
The InChIKey is SBBAUQKYOFRILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-3-19(4-2)14(21)18-8-7-17-13(20)10-5-6-11(15)12(16)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide?
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide has a molecular weight of 332.23 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 108570671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).