N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide

C22H22ClN3O2 — CID 41454514

IUPACN'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
SMILESCN(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22ClN3O2/c1-26(2)20(19-12-5-8-15-7-3-4-11-18(15)19)14-24-21(27)22(28)25-17-10-6-9-16(23)13-17/h3-13,20H,14H2,1-2H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyMNCVOCBYYMUFAI-HXUWFJFHSA-N
MW395.89 g/mol
LogP3.85
Rot. Bonds5

About N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide

N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide (PubChem CID 41454514) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
PubChem CID41454514
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
SMILESCN(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C22H22ClN3O2/c1-26(2)20(19-12-5-8-15-7-3-4-11-18(15)19)14-24-21(27)22(28)25-17-10-6-9-16(23)13-17/h3-13,20H,14H2,1-2H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyMNCVOCBYYMUFAI-HXUWFJFHSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.85
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-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 41454568
N'-(2,5-difluorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454579
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 41454681
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454488
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
[(1S)-2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]-1-[4-(dimethylamino)phenyl]ethyl]-dimethylazanium
CID 7192147
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 90490965
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
N'-(3,4-dimethoxyphenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497468

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide (CID 41454514) is N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide is CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
The InChIKey is MNCVOCBYYMUFAI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-26(2)20(19-12-5-8-15-7-3-4-11-18(15)19)14-24-21(27)22(28)25-17-10-6-9-16(23)13-17/h3-13,20H,14H2,1-2H3,(H,24,27)(H,25,28)/t20-/m1/s1.
What are the key properties of N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide?
N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide has a molecular weight of 395.89 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide is sourced from PubChem (CID 41454514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).