N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide

C18H19ClN2O3 — CID 96532468

IUPACN-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
SMILESCOc1cccc(C[C@@H](C)NC(=O)C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(10-13-6-5-7-14(11-13)24-2)20-17(22)18(23)21-16-9-4-3-8-15(16)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyWWLSZEKCLKZEHZ-GFCCVEGCSA-N
MW346.81 g/mol
LogP3.03
Rot. Bonds5

About N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide

N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide (PubChem CID 96532468) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
PubChem CID96532468
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
SMILESCOc1cccc(C[C@@H](C)NC(=O)C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(10-13-6-5-7-14(11-13)24-2)20-17(22)18(23)21-16-9-4-3-8-15(16)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyWWLSZEKCLKZEHZ-GFCCVEGCSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.03
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-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
N-(5-chloro-2-piperidin-1-ylphenyl)-N'-[1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 86943894
N-(4-fluoro-2-methylphenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532470
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-(2-chlorophenyl)-4-(3-methoxyphenyl)-2,4-dioxobutanamide
CID 22431239
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide (CID 96532468) is N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide is COc1cccc(C[C@@H](C)NC(=O)C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
The InChIKey is WWLSZEKCLKZEHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(10-13-6-5-7-14(11-13)24-2)20-17(22)18(23)21-16-9-4-3-8-15(16)19/h3-9,11-12H,10H2,1-2H3,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide?
N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide has a molecular weight of 346.81 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(2R)-1-(3-methoxyphenyl)propan-2-yl]oxamide is sourced from PubChem (CID 96532468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).