N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide

C17H17ClN2O2 — CID 60611333

IUPACN'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
SMILESCc1cccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-2-4-13(11-12)9-10-19-16(21)17(22)20-15-7-5-14(18)6-8-15/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyNKCBOEDPPGZRCI-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.95
Rot. Bonds4

About N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide

N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide (PubChem CID 60611333) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
PubChem CID60611333
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
SMILESCc1cccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12-3-2-4-13(11-12)9-10-19-16(21)17(22)20-15-7-5-14(18)6-8-15/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyNKCBOEDPPGZRCI-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.95
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-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617251
N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617178
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
CID 108986546
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
CID 108986567
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
N'-(4-methylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 86919833
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide (CID 60611333) is N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide is Cc1cccc(CCNC(=O)C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
The InChIKey is NKCBOEDPPGZRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-3-2-4-13(11-12)9-10-19-16(21)17(22)20-15-7-5-14(18)6-8-15/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide?
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide has a molecular weight of 316.79 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 60611333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).