3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide

C18H17Cl2N3O3 — CID 55638128

IUPAC3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2N3O3/c1-23(2)16(24)10-21-17(25)11-3-5-15(6-4-11)22-18(26)12-7-13(19)9-14(20)8-12/h3-9H,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPMLWSCAYJDJPDM-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.06
Rot. Bonds5

About 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide

3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide (PubChem CID 55638128) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide
PubChem CID55638128
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC Name3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide
SMILESCN(C)C(=O)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H17Cl2N3O3/c1-23(2)16(24)10-21-17(25)11-3-5-15(6-4-11)22-18(26)12-7-13(19)9-14(20)8-12/h3-9H,10H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyPMLWSCAYJDJPDM-UHFFFAOYSA-N
XLogP3.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide
CID 55638196
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
CID 14146500
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
3,5-dichloro-N-[4-[[4-(cyclopropylcarbamoyl)phenyl]methyl-methylcarbamoyl]phenyl]benzamide
CID 37344285
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide (CID 55638128) is 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide is CN(C)C(=O)CNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide?
The InChIKey is PMLWSCAYJDJPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c1-23(2)16(24)10-21-17(25)11-3-5-15(6-4-11)22-18(26)12-7-13(19)9-14(20)8-12/h3-9H,10H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide?
3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide has a molecular weight of 394.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 55638128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).