N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide

C14H19ClN2O2 — CID 2290781

IUPACN'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(C)C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-9(2)6-7-16-13(18)14(19)17-11-5-4-10(3)12(15)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFGRSJPFNYDDPJE-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.75
Rot. Bonds4

About N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide

N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide (PubChem CID 2290781) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
PubChem CID2290781
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(C)C)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-9(2)6-7-16-13(18)14(19)17-11-5-4-10(3)12(15)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyFGRSJPFNYDDPJE-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
CID 47224746
N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798745
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide (CID 2290781) is N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCC(C)C)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide?
The InChIKey is FGRSJPFNYDDPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(2)6-7-16-13(18)14(19)17-11-5-4-10(3)12(15)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide?
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide has a molecular weight of 282.77 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide is sourced from PubChem (CID 2290781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).