N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide

C18H20FN3O3 — CID 166322708

IUPACN-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide
SMILESCNC(=O)NC(C)C(=O)NCc1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O3/c1-12(22-18(24)20-2)17(23)21-11-13-6-5-7-14(10-13)25-16-9-4-3-8-15(16)19/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyNGCLYSRQJRDCJY-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.55
Rot. Bonds6

About N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide

N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide (PubChem CID 166322708) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide
PubChem CID166322708
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide
SMILESCNC(=O)NC(C)C(=O)NCc1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O3/c1-12(22-18(24)20-2)17(23)21-11-13-6-5-7-14(10-13)25-16-9-4-3-8-15(16)19/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyNGCLYSRQJRDCJY-UHFFFAOYSA-N
XLogP2.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[3-(2-fluorophenoxy)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 154850530
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
(Z,2Z)-2-(1-aminoethylidene)-5-fluoro-N-[[3-(2-fluorophenoxy)phenyl]methyl]hex-3-enamide
CID 89148132
(2S)-2-(2-fluorophenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132312
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-phenoxybenzamide
CID 60571640
2-[3-[(2-acetamidopropanoylamino)methyl]phenoxy]acetic acid
CID 119246914
N-[1-oxo-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 55712296
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
N-[[3-(2-fluorophenoxy)phenyl]methyl]-1,5-naphthyridine-2-carboxamide
CID 59192219
2-(2-fluorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 86992957

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide?
The IUPAC name of N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide (CID 166322708) is N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide.
What is the SMILES notation for N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide?
The canonical SMILES for N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide is CNC(=O)NC(C)C(=O)NCc1cccc(Oc2ccccc2F)c1.
What is the InChIKey of N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide?
The InChIKey is NGCLYSRQJRDCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12(22-18(24)20-2)17(23)21-11-13-6-5-7-14(10-13)25-16-9-4-3-8-15(16)19/h3-10,12H,11H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide?
N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide has a molecular weight of 345.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenoxy)phenyl]methyl]-2-(methylcarbamoylamino)propanamide is sourced from PubChem (CID 166322708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).