N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide

C18H18F2N2O3 — CID 95597018

IUPACN-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide
SMILESCC[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H18F2N2O3/c1-3-16(11-4-6-15(25-2)7-5-11)22-18(24)17(23)21-14-9-12(19)8-13(20)10-14/h4-10,16H,3H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyBRRUKWIAWKZDFY-INIZCTEOSA-N
MW348.35 g/mol
LogP3.18
Rot. Bonds5

About N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide

N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide (PubChem CID 95597018) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide
PubChem CID95597018
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide
SMILESCC[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)c1ccc(OC)cc1
InChIInChI=1S/C18H18F2N2O3/c1-3-16(11-4-6-15(25-2)7-5-11)22-18(24)17(23)21-14-9-12(19)8-13(20)10-14/h4-10,16H,3H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyBRRUKWIAWKZDFY-INIZCTEOSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
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

N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97000116
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
N-(3,5-difluorophenyl)-N'-[1-(2,4-dimethoxyphenyl)ethyl]oxamide
CID 56795739
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-(2,5-dimethylpyrazol-3-yl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97068333
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584
3-(3,5-difluorophenyl)-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 96542792
N-[4-(3-fluorophenoxy)phenyl]-N'-[(1S)-1-pyridin-4-ylpropyl]oxamide
CID 99817834

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide?
The IUPAC name of N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide (CID 95597018) is N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide is CC[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)c1ccc(OC)cc1.
What is the InChIKey of N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide?
The InChIKey is BRRUKWIAWKZDFY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-3-16(11-4-6-15(25-2)7-5-11)22-18(24)17(23)21-14-9-12(19)8-13(20)10-14/h4-10,16H,3H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide?
N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide has a molecular weight of 348.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-N'-[(1S)-1-(4-methoxyphenyl)propyl]oxamide is sourced from PubChem (CID 95597018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).