2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide

C18H18F2N2O3 — CID 84594498

IUPAC2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)C(C)c2c(F)cccc2F)c1
InChIInChI=1S/C18H18F2N2O3/c1-11(17-14(19)7-4-8-15(17)20)18(24)22-13-6-3-5-12(9-13)21-16(23)10-25-2/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYBPPPRYEZYIFCZ-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.29
Rot. Bonds6

About 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide

2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide (PubChem CID 84594498) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
PubChem CID84594498
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
SMILESCOCC(=O)Nc1cccc(NC(=O)C(C)c2c(F)cccc2F)c1
InChIInChI=1S/C18H18F2N2O3/c1-11(17-14(19)7-4-8-15(17)20)18(24)22-13-6-3-5-12(9-13)21-16(23)10-25-2/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYBPPPRYEZYIFCZ-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
CID 95616058
2-methoxy-N-[3-(2-methylpentan-3-ylamino)phenyl]acetamide
CID 43784507
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
2-chloro-N-[1-[3-[(2-methoxyacetyl)amino]anilino]-1-oxopropan-2-yl]benzamide
CID 46579661
N-[3-[bis(3-methylbutyl)carbamoylamino]phenyl]-2-methoxyacetamide
CID 55697276
4-fluoro-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55567162
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methoxyacetamide
CID 43713201
N-(3-chloro-4-fluorophenyl)-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 55572161
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide (CID 84594498) is 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide is COCC(=O)Nc1cccc(NC(=O)C(C)c2c(F)cccc2F)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide?
The InChIKey is YBPPPRYEZYIFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-11(17-14(19)7-4-8-15(17)20)18(24)22-13-6-3-5-12(9-13)21-16(23)10-25-2/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide?
2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide has a molecular weight of 348.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 84594498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).