4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide

C16H22Cl2N2O2 — CID 23967386

IUPAC4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
SMILESCC(C)CNC(=O)c1cc(Cl)c(Cl)cc1C(=O)NCC(C)C
InChIInChI=1S/C16H22Cl2N2O2/c1-9(2)7-19-15(21)11-5-13(17)14(18)6-12(11)16(22)20-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRZFVXFLUUWWMLT-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.77
Rot. Bonds6

About 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide

4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide (PubChem CID 23967386) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
PubChem CID23967386
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
SMILESCC(C)CNC(=O)c1cc(Cl)c(Cl)cc1C(=O)NCC(C)C
InChIInChI=1S/C16H22Cl2N2O2/c1-9(2)7-19-15(21)11-5-13(17)14(18)6-12(11)16(22)20-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyRZFVXFLUUWWMLT-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-chloro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 47101886
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
3-chloro-N-(2-methylpropyl)-2-nitrobenzamide
CID 79821508
2-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107034416
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2-(3,5-dichlorophenyl)-N-(2-methylpropyl)acetamide
CID 110486765
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide?
The IUPAC name of 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide (CID 23967386) is 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide is CC(C)CNC(=O)c1cc(Cl)c(Cl)cc1C(=O)NCC(C)C.
What is the InChIKey of 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide?
The InChIKey is RZFVXFLUUWWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-9(2)7-19-15(21)11-5-13(17)14(18)6-12(11)16(22)20-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide?
4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide has a molecular weight of 345.27 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 23967386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).