N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide

C14H18Cl2N2O3 — CID 111121391

IUPACN'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-3-4-10(19)7-17-13(20)14(21)18-9-5-11(15)8(2)12(16)6-9/h5-6,10,19H,3-4,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyAPYSIPQDHIZFLR-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.52
Rot. Bonds5

About N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide

N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide (PubChem CID 111121391) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide
PubChem CID111121391
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O3/c1-3-4-10(19)7-17-13(20)14(21)18-9-5-11(15)8(2)12(16)6-9/h5-6,10,19H,3-4,7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyAPYSIPQDHIZFLR-UHFFFAOYSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
CID 115623569
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
CID 111121394
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxypentyl)urea
CID 111431387
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
CID 115869290
N'-(3,5-dimethylphenyl)-N-(2-ethylhexyl)oxamide
CID 4272614
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide?
The IUPAC name of N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide (CID 111121391) is N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide?
The canonical SMILES for N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide is CCCC(O)CNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1.
What is the InChIKey of N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide?
The InChIKey is APYSIPQDHIZFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-3-4-10(19)7-17-13(20)14(21)18-9-5-11(15)8(2)12(16)6-9/h5-6,10,19H,3-4,7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide?
N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide has a molecular weight of 333.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide is sourced from PubChem (CID 111121391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).