N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide

C19H21ClN2O2 — CID 4607386

IUPACN'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-14-16(20)11-7-12-17(14)22-19(24)18(23)21-13-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11-12H,5-6,10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNETWASBEFOEPGT-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.73
Rot. Bonds6

About N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide

N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide (PubChem CID 4607386) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
PubChem CID4607386
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H21ClN2O2/c1-14-16(20)11-7-12-17(14)22-19(24)18(23)21-13-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11-12H,5-6,10,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNETWASBEFOEPGT-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005057
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]oxamide
CID 16891358
N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891698
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
6-N-(3-chloro-2-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098456
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
1-(3-chloro-2-methylphenyl)-3-dodecylthiourea
CID 19651379

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide (CID 4607386) is N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCCCCc1ccccc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide?
The InChIKey is NETWASBEFOEPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-16(20)11-7-12-17(14)22-19(24)18(23)21-13-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11-12H,5-6,10,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide?
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide has a molecular weight of 344.84 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide is sourced from PubChem (CID 4607386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).