N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide

C14H21ClN2O — CID 109005960

IUPACN-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-8-16-10-14(18)17-13-7-6-12(15)9-11(13)2/h6-7,9,16H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyOENXTAKUJUKPCE-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.37
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide

N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide (PubChem CID 109005960) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
PubChem CID109005960
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-8-16-10-14(18)17-13-7-6-12(15)9-11(13)2/h6-7,9,16H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyOENXTAKUJUKPCE-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-N-(2,4-dichlorophenyl)acetamide
CID 54815344
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
CID 86085592
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
CID 106211851
N-[4-chloro-3-[[2-(hexadecylamino)acetyl]amino]phenyl]butanamide
CID 54808683
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide (CID 109005960) is N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide is CCCCCNCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide?
The InChIKey is OENXTAKUJUKPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-5-8-16-10-14(18)17-13-7-6-12(15)9-11(13)2/h6-7,9,16H,3-5,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide?
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide has a molecular weight of 268.79 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide is sourced from PubChem (CID 109005960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).