2-amino-N-(2-chloro-6-methylphenyl)pentanamide

C12H17ClN2O — CID 66254750

IUPAC2-amino-N-(2-chloro-6-methylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-5-10(14)12(16)15-11-8(2)6-4-7-9(11)13/h4,6-7,10H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyXBBAIWFQEHWWTI-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-N-(2-chloro-6-methylphenyl)pentanamide

2-amino-N-(2-chloro-6-methylphenyl)pentanamide (PubChem CID 66254750) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-6-methylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-6-methylphenyl)pentanamide
PubChem CID66254750
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-amino-N-(2-chloro-6-methylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-5-10(14)12(16)15-11-8(2)6-4-7-9(11)13/h4,6-7,10H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyXBBAIWFQEHWWTI-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)pentanamide?
The IUPAC name of 2-amino-N-(2-chloro-6-methylphenyl)pentanamide (CID 66254750) is 2-amino-N-(2-chloro-6-methylphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-6-methylphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(2-chloro-6-methylphenyl)pentanamide is CCCC(N)C(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-6-methylphenyl)pentanamide?
The InChIKey is XBBAIWFQEHWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-5-10(14)12(16)15-11-8(2)6-4-7-9(11)13/h4,6-7,10H,3,5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-6-methylphenyl)pentanamide?
2-amino-N-(2-chloro-6-methylphenyl)pentanamide has a molecular weight of 240.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-6-methylphenyl)pentanamide is sourced from PubChem (CID 66254750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).