4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride

C12H18Cl2N2O — CID 120558801

IUPAC4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
SMILESCc1ccc(Cl)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-3-5-10(13)7-11(8)15-12(16)6-4-9(2)14;/h3,5,7,9H,4,6,14H2,1-2H3,(H,15,16);1H
InChIKeyUPPIRVKFVSHSPO-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.14
Rot. Bonds4

About 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride

4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride (PubChem CID 120558801) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
PubChem CID120558801
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
SMILESCc1ccc(Cl)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-3-5-10(13)7-11(8)15-12(16)6-4-9(2)14;/h3,5,7,9H,4,6,14H2,1-2H3,(H,15,16);1H
InChIKeyUPPIRVKFVSHSPO-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
CID 120565245
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
2-amino-4-(5-chloro-2-methylanilino)-4-oxobutanoic acid
CID 3373131
2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
CID 120560026
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-(5-chloro-2-methylphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 9272793

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride (CID 120558801) is 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride is Cc1ccc(Cl)cc1NC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride?
The InChIKey is UPPIRVKFVSHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-8-3-5-10(13)7-11(8)15-12(16)6-4-9(2)14;/h3,5,7,9H,4,6,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride?
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120558801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).