N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide

C23H19F3N2O3 — CID 97000116

IUPACN-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H19F3N2O3/c1-31-18-9-4-15(5-10-18)21(12-14-2-6-16(24)7-3-14)28-23(30)22(29)27-17-8-11-19(25)20(26)13-17/h2-11,13,21H,12H2,1H3,(H,27,29)(H,28,30)/t21-/m0/s1
InChIKeyHLZLKYNGLLNZCU-NRFANRHFSA-N
MW428.41 g/mol
LogP4.15
Rot. Bonds6

About N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide

N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 97000116) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
PubChem CID97000116
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H19F3N2O3/c1-31-18-9-4-15(5-10-18)21(12-14-2-6-16(24)7-3-14)28-23(30)22(29)27-17-8-11-19(25)20(26)13-17/h2-11,13,21H,12H2,1H3,(H,27,29)(H,28,30)/t21-/m0/s1
InChIKeyHLZLKYNGLLNZCU-NRFANRHFSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.15
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-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97068333
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306372
N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide
CID 95597018
4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 46820313
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
1-(3,4-difluorophenyl)-3-[(1R)-1-(4-methoxyphenyl)propyl]thiourea
CID 100652514
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46820318
1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
CID 86940449

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide (CID 97000116) is N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide is COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is HLZLKYNGLLNZCU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-31-18-9-4-15(5-10-18)21(12-14-2-6-16(24)7-3-14)28-23(30)22(29)27-17-8-11-19(25)20(26)13-17/h2-11,13,21H,12H2,1H3,(H,27,29)(H,28,30)/t21-/m0/s1.
What are the key properties of N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide?
N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 428.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 97000116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).