9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide

C19H26ClN3O2 — CID 120987894

IUPAC9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CC3CCCC(C2)C3N)c(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-11-5-6-16(15(20)7-11)23-17(24)10-22-19(25)14-8-12-3-2-4-13(9-14)18(12)21/h5-7,12-14,18H,2-4,8-10,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyVFYLOVPJSQGXCV-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.86
Rot. Bonds4

About 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120987894) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120987894
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)C2CC3CCCC(C2)C3N)c(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-11-5-6-16(15(20)7-11)23-17(24)10-22-19(25)14-8-12-3-2-4-13(9-14)18(12)21/h5-7,12-14,18H,2-4,8-10,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyVFYLOVPJSQGXCV-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015508
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
9-amino-N-[2-(ethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983832
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993419
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119309067

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120987894) is 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide is Cc1ccc(NC(=O)CNC(=O)C2CC3CCCC(C2)C3N)c(Cl)c1.
What is the InChIKey of 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is VFYLOVPJSQGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-11-5-6-16(15(20)7-11)23-17(24)10-22-19(25)14-8-12-3-2-4-13(9-14)18(12)21/h5-7,12-14,18H,2-4,8-10,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120987894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).