N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide

C18H19ClN2O3 — CID 111798305

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

About N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide

N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide (PubChem CID 111798305) 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-1-phenylpropyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
PubChem CID111798305
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NC(CCO)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12-14(19)8-5-9-15(12)20-17(23)18(24)21-16(10-11-22)13-6-3-2-4-7-13/h2-9,16,22H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyDHAKQVRGSKMXDL-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-1-phenylpropyl)oxamide
CID 111798272
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
N'-(3-chloro-2-methylphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977183
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
CID 175133979
3-[(3-chloro-2-methylphenyl)carbamoyl]-4-phenylpentanoic acid
CID 3310163
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8656271
N-(2-ethylphenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798095
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide (CID 111798305) is N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide is Cc1c(Cl)cccc1NC(=O)C(=O)NC(CCO)c1ccccc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-phenylpropyl)oxamide?
The InChIKey is DHAKQVRGSKMXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-14(19)8-5-9-15(12)20-17(23)18(24)21-16(10-11-22)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-1-phenylpropyl)oxamide?
N-(3-chloro-2-methylphenyl)-N'-(3-hydroxy-1-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-1-phenylpropyl)oxamide is sourced from PubChem (CID 111798305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).