N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide

C18H19ClN2O3 — CID 71782312

IUPACN'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12-14(19)8-5-9-15(12)21-18(24)17(23)20-11-10-16(22)13-6-3-2-4-7-13/h2-9,16,22H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyAROPZQKGTDZFJE-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.83
Rot. Bonds5

About N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide

N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide (PubChem CID 71782312) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
PubChem CID71782312
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12-14(19)8-5-9-15(12)21-18(24)17(23)20-11-10-16(22)13-6-3-2-4-7-13/h2-9,16,22H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyAROPZQKGTDZFJE-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dimethylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782301
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183
N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97042989
N'-(3-chloro-2-methylphenyl)-N-(4-phenylbutyl)oxamide
CID 4607386
N-(3-chloro-2-methylphenyl)-3-[[(3R)-3-hydroxy-3-phenylpropyl]-methylamino]propanamide
CID 124750843
N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
CID 111798305
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496403
N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide
CID 90524242
N'-(3-chloro-2-methylphenyl)-N-prop-2-enyloxamide
CID 4185911
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 16891528
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide (CID 71782312) is N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
The InChIKey is AROPZQKGTDZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-14(19)8-5-9-15(12)21-18(24)17(23)20-11-10-16(22)13-6-3-2-4-7-13/h2-9,16,22H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide?
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide has a molecular weight of 346.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide is sourced from PubChem (CID 71782312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).