4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride

C12H18Cl2N2O — CID 120558654

IUPAC4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCC(C)N)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-3-5-10(7-11(8)13)15-12(16)6-4-9(2)14;/h3,5,7,9H,4,6,14H2,1-2H3,(H,15,16);1H
InChIKeySAGXITRIGVHOHI-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.14
Rot. Bonds4

About 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride

4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride (PubChem CID 120558654) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
PubChem CID120558654
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCC(C)N)cc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-8-3-5-10(7-11(8)13)15-12(16)6-4-9(2)14;/h3,5,7,9H,4,6,14H2,1-2H3,(H,15,16);1H
InChIKeySAGXITRIGVHOHI-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

5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]pentanamide
CID 120563196
5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride (CID 120558654) is 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride is Cc1ccc(NC(=O)CCC(C)N)cc1Cl.Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride?
The InChIKey is SAGXITRIGVHOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-8-3-5-10(7-11(8)13)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-(3-chloro-4-methylphenyl)pentanamide;hydrochloride?
4-amino-N-(3-chloro-4-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-(3-chloro-4-methylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120558654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).