4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide

C15H22Cl2N2O — CID 120562379

IUPAC4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
SMILESCC(N)CCC(=O)NCC(C)(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-10(18)7-8-13(20)19-9-15(2,3)14-11(16)5-4-6-12(14)17/h4-6,10H,7-9,18H2,1-3H3,(H,19,20)
InChIKeyCZSWLGTTYIBFCR-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.51
Rot. Bonds6

About 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide

4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide (PubChem CID 120562379) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
PubChem CID120562379
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
SMILESCC(N)CCC(=O)NCC(C)(C)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H22Cl2N2O/c1-10(18)7-8-13(20)19-9-15(2,3)14-11(16)5-4-6-12(14)17/h4-6,10H,7-9,18H2,1-3H3,(H,19,20)
InChIKeyCZSWLGTTYIBFCR-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119319553
3-amino-N-[2-(2-chloro-6-fluorophenyl)-2-methylpropyl]butanamide
CID 119777725
4-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]pentanamide;hydrochloride
CID 120560827
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
CID 120562053
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825
4-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]pentanamide
CID 120563338
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
CID 86964999
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673517

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide (CID 120562379) is 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide is CC(N)CCC(=O)NCC(C)(C)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide?
The InChIKey is CZSWLGTTYIBFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-10(18)7-8-13(20)19-9-15(2,3)14-11(16)5-4-6-12(14)17/h4-6,10H,7-9,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide?
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide has a molecular weight of 317.26 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide is sourced from PubChem (CID 120562379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).