N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide

C19H21FN2O3 — CID 95275450

IUPACN-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
SMILESCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-3-25-12-14-5-4-6-17(11-14)22-19(24)18(23)21-13(2)15-7-9-16(20)10-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyUTIHIQIMKOKEOQ-ZDUSSCGKSA-N
MW344.39 g/mol
LogP3.18
Rot. Bonds6

About N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide

N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide (PubChem CID 95275450) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
PubChem CID95275450
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
SMILESCCOCc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)c1
InChIInChI=1S/C19H21FN2O3/c1-3-25-12-14-5-4-6-17(11-14)22-19(24)18(23)21-13(2)15-7-9-16(20)10-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyUTIHIQIMKOKEOQ-ZDUSSCGKSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.18
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

ethyl 4-[[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoacetyl]amino]benzoate
CID 30405268
N-(3,5-dichlorophenyl)-N'-[1-(4-fluorophenyl)ethyl]oxamide
CID 43906812
ethyl N-[3-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]carbamate
CID 9426662
N-[3-(ethoxymethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432650
N-[3-(ethoxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119768832
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
ethyl 3-[1-(4-fluorophenyl)ethylcarbamothioylamino]benzoate
CID 133215346
1-[3-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336928
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
CID 108510021
N-(2,5-difluorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511128
(2S)-2-amino-N-[3-(ethoxymethyl)phenyl]-3,3-dimethylbutanamide
CID 119768827

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide (CID 95275450) is N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide is CCOCc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is UTIHIQIMKOKEOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-25-12-14-5-4-6-17(11-14)22-19(24)18(23)21-13(2)15-7-9-16(20)10-8-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide?
N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 344.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxymethyl)phenyl]-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 95275450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).