N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

C14H17ClN2O3 — CID 7256111

IUPACN'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-4-5-10(7-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyHKBCPCGIPFRSFB-NSHDSACASA-N
MW296.75 g/mol
LogP1.88
Rot. Bonds3

About N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 7256111) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID7256111
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9-4-5-10(7-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t11-/m0/s1
InChIKeyHKBCPCGIPFRSFB-NSHDSACASA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N'-(3-chloro-4-pyrazol-1-ylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95156596
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-[4-(dimethylamino)phenyl]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7585533
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2274084
(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
CID 2442322
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 7256111) is N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is HKBCPCGIPFRSFB-NSHDSACASA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-4-5-10(7-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h4-5,7,11H,2-3,6,8H2,1H3,(H,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 296.75 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7256111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).