N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide

C19H20F2N2O2 — CID 146132621

IUPACN-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide
SMILESCc1ccc(CC(C)N(C)C(=O)C(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12-7-9-14(10-8-12)11-13(2)23(3)19(25)18(24)22-16-6-4-5-15(20)17(16)21/h4-10,13H,11H2,1-3H3,(H,22,24)
InChIKeyCWQVNMSZMVMISA-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.30
Rot. Bonds4

About N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide

N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide (PubChem CID 146132621) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide
PubChem CID146132621
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide
SMILESCc1ccc(CC(C)N(C)C(=O)C(=O)Nc2cccc(F)c2F)cc1
InChIInChI=1S/C19H20F2N2O2/c1-12-7-9-14(10-8-12)11-13(2)23(3)19(25)18(24)22-16-6-4-5-15(20)17(16)21/h4-10,13H,11H2,1-3H3,(H,22,24)
InChIKeyCWQVNMSZMVMISA-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
CID 86856678
3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52505851
1-(2,3-difluorophenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 86856228
N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
CID 86856671
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
1-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)-1-methylurea
CID 86856279
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280847
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
N-(2,3-difluorophenyl)-4-hydroxypentanamide
CID 79193547
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide?
The IUPAC name of N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide (CID 146132621) is N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide is Cc1ccc(CC(C)N(C)C(=O)C(=O)Nc2cccc(F)c2F)cc1.
What is the InChIKey of N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide?
The InChIKey is CWQVNMSZMVMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-7-9-14(10-8-12)11-13(2)23(3)19(25)18(24)22-16-6-4-5-15(20)17(16)21/h4-10,13H,11H2,1-3H3,(H,22,24).
What are the key properties of N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide?
N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide has a molecular weight of 346.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-N'-methyl-N'-[1-(4-methylphenyl)propan-2-yl]oxamide is sourced from PubChem (CID 146132621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).