9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide

C19H25Cl2N3O2 — CID 120983474

IUPAC9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C19H25Cl2N3O2/c1-24(10-17(25)23-14-5-6-15(20)16(21)9-14)19(26)13-7-11-3-2-4-12(8-13)18(11)22/h5-6,9,11-13,18H,2-4,7-8,10,22H2,1H3,(H,23,25)
InChIKeyANOMZPJWHWHEBS-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.54
Rot. Bonds4

About 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120983474) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120983474
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C19H25Cl2N3O2/c1-24(10-17(25)23-14-5-6-15(20)16(21)9-14)19(26)13-7-11-3-2-4-12(8-13)18(11)22/h5-6,9,11-13,18H,2-4,7-8,10,22H2,1H3,(H,23,25)
InChIKeyANOMZPJWHWHEBS-UHFFFAOYSA-N
XLogP3.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682947
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119267757
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
9-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120990447
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46616234
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 21174252
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide (CID 120983474) is 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ANOMZPJWHWHEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c1-24(10-17(25)23-14-5-6-15(20)16(21)9-14)19(26)13-7-11-3-2-4-12(8-13)18(11)22/h5-6,9,11-13,18H,2-4,7-8,10,22H2,1H3,(H,23,25).
What are the key properties of 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 398.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120983474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).