N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide

C18H23ClN4O2 — CID 42265452

IUPACN'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccn1C)N(C)C
InChIInChI=1S/C18H23ClN4O2/c1-12-7-8-13(19)10-14(12)21-18(25)17(24)20-11-16(22(2)3)15-6-5-9-23(15)4/h5-10,16H,11H2,1-4H3,(H,20,24)(H,21,25)/t16-/m1/s1
InChIKeyNNCKPAYMNDOMEG-MRXNPFEDSA-N
MW362.86 g/mol
LogP2.34
Rot. Bonds5

About N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide (PubChem CID 42265452) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
PubChem CID42265452
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccn1C)N(C)C
InChIInChI=1S/C18H23ClN4O2/c1-12-7-8-13(19)10-14(12)21-18(25)17(24)20-11-16(22(2)3)15-6-5-9-23(15)4/h5-10,16H,11H2,1-4H3,(H,20,24)(H,21,25)/t16-/m1/s1
InChIKeyNNCKPAYMNDOMEG-MRXNPFEDSA-N
XLogP2.34
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
5-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 42264048
N'-(5-chloro-2-methylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 56765311
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496403
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(5-chloro-2-methylphenyl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 30774140
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886563
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N-[(4-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496402

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide (CID 42265452) is N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1cccn1C)N(C)C.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The InChIKey is NNCKPAYMNDOMEG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12-7-8-13(19)10-14(12)21-18(25)17(24)20-11-16(22(2)3)15-6-5-9-23(15)4/h5-10,16H,11H2,1-4H3,(H,20,24)(H,21,25)/t16-/m1/s1.
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide has a molecular weight of 362.86 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide is sourced from PubChem (CID 42265452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).