N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

C14H19ClN4O2 — CID 45000333

IUPACN-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C14H19ClN4O2/c1-10-11(15)4-3-5-12(10)16-13(20)14(21)17-19-8-6-18(2)7-9-19/h3-5H,6-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyQFIMXRGNHUGAFY-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.87
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 45000333) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID45000333
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C14H19ClN4O2/c1-10-11(15)4-3-5-12(10)16-13(20)14(21)17-19-8-6-18(2)7-9-19/h3-5H,6-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyQFIMXRGNHUGAFY-UHFFFAOYSA-N
XLogP0.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 110463774
N'-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)oxamide
CID 44998267
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944418
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]oxamide
CID 16891358
2-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 47335495
N'-(3-chloro-2-methylphenyl)-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16800022
N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 45000656
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
(2R)-4-(3-chloro-2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 7166314
N-[3-(dimethylamino)phenyl]-N'-(4-methylpiperazin-1-yl)oxamide
CID 108529126
N-(3-chloro-2-methylphenyl)-N'-(2-methoxyphenyl)oxamide
CID 45000336
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (CID 45000333) is N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is QFIMXRGNHUGAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-10-11(15)4-3-5-12(10)16-13(20)14(21)17-19-8-6-18(2)7-9-19/h3-5H,6-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 310.79 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 45000333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).