N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide

C19H21ClN2O2 — CID 108506189

IUPACN'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-3-13(2)15-9-5-7-11-17(15)22-19(24)18(23)21-12-14-8-4-6-10-16(14)20/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHMEBMHMZGAWBEN-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.11
Rot. Bonds5

About N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide

N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide (PubChem CID 108506189) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
PubChem CID108506189
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-3-13(2)15-9-5-7-11-17(15)22-19(24)18(23)21-12-14-8-4-6-10-16(14)20/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHMEBMHMZGAWBEN-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.11
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-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900398
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[(2-chlorophenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000500
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307010

Frequently Asked Questions

What is the IUPAC name of N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide (CID 108506189) is N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide is CCC(C)c1ccccc1NC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide?
The InChIKey is HMEBMHMZGAWBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-13(2)15-9-5-7-11-17(15)22-19(24)18(23)21-12-14-8-4-6-10-16(14)20/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide?
N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide has a molecular weight of 344.84 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butan-2-ylphenyl)-N-[(2-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 108506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).