3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide

C15H20Cl2N2O — CID 61101939

IUPAC3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)c(Cl)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-19(11-6-4-2-3-5-7-11)15(20)10-8-12(16)14(17)13(18)9-10/h8-9,11H,2-7,18H2,1H3
InChIKeySAFPCHSGXKWQNK-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.37
Rot. Bonds2

About 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide

3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide (PubChem CID 61101939) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
PubChem CID61101939
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
SMILESCN(C(=O)c1cc(N)c(Cl)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-19(11-6-4-2-3-5-7-11)15(20)10-8-12(16)14(17)13(18)9-10/h8-9,11H,2-7,18H2,1H3
InChIKeySAFPCHSGXKWQNK-UHFFFAOYSA-N
XLogP4.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dichloro-N-methyl-N-(thiolan-3-yl)benzamide
CID 61093211
3-amino-4,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 61102704
3,4-dichloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 43216446
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3,4-dichloro-N-cyclobutyl-N-methyl-5-nitrobenzamide
CID 115649173
4-amino-3-chloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 62154937
4-amino-N-cyclohexyl-3,5-difluoro-N-methylbenzamide
CID 55158665
7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
CID 30756448
2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
CID 69376073
4-amino-3,5-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82833409

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide (CID 61101939) is 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide is CN(C(=O)c1cc(N)c(Cl)c(Cl)c1)C1CCCCCC1.
What is the InChIKey of 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide?
The InChIKey is SAFPCHSGXKWQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-19(11-6-4-2-3-5-7-11)15(20)10-8-12(16)14(17)13(18)9-10/h8-9,11H,2-7,18H2,1H3.
What are the key properties of 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide?
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide has a molecular weight of 315.24 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide is sourced from PubChem (CID 61101939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).