N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide

C20H24ClN3O2 — CID 108986567

IUPACN-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)18-10-8-17(9-11-18)23-20(26)19(25)22-13-12-15-6-5-7-16(21)14-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyTVEACLQXRCVXOR-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide

N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide (PubChem CID 108986567) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
PubChem CID108986567
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)18-10-8-17(9-11-18)23-20(26)19(25)22-13-12-15-6-5-7-16(21)14-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyTVEACLQXRCVXOR-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108986593
N'-(4-bromophenyl)-N-[2-(3-chlorophenyl)ethyl]oxamide
CID 108986546
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N-(2-chloroethyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108513980
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]oxamide
CID 7585522
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide (CID 108986567) is N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide?
The InChIKey is TVEACLQXRCVXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-24(4-2)18-10-8-17(9-11-18)23-20(26)19(25)22-13-12-15-6-5-7-16(21)14-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide?
N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide has a molecular weight of 373.88 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N'-[4-(diethylamino)phenyl]oxamide is sourced from PubChem (CID 108986567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).