3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide

C14H18Cl2N2O2 — CID 27556673

IUPAC3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)5-6-17-13(19)8-18-14(20)10-3-4-11(15)12(16)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGOJWLWGOTFRDDZ-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.89
Rot. Bonds6

About 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide

3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (PubChem CID 27556673) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
PubChem CID27556673
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)5-6-17-13(19)8-18-14(20)10-3-4-11(15)12(16)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGOJWLWGOTFRDDZ-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
2-(3,4-dichloroanilino)-N-(3-methylbutyl)acetamide
CID 60671349
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
N-[2-(3-aminopropylamino)-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119405889
5-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pentanoic acid
CID 119234912
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
3,4-dichloro-N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 120652500
[(1R)-1-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 25183873
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
3,4-dichloro-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366131

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (CID 27556673) is 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide is CC(C)CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The InChIKey is GOJWLWGOTFRDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(2)5-6-17-13(19)8-18-14(20)10-3-4-11(15)12(16)7-10/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide has a molecular weight of 317.22 g/mol, XLogP of 2.89, 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-(3-methylbutylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 27556673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).