N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide

C20H22FN3O4 — CID 55960270

IUPACN-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C20H22FN3O4/c21-16-3-1-4-17(11-16)28-10-2-5-19(26)23-12-14-6-8-15(9-7-14)20(27)24-13-18(22)25/h1,3-4,6-9,11H,2,5,10,12-13H2,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyDVRFPBFTMPPQTM-UHFFFAOYSA-N
MW387.41 g/mol
LogP1.52
Rot. Bonds10

About N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide (PubChem CID 55960270) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide
PubChem CID55960270
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)CCCOc2cccc(F)c2)cc1
InChIInChI=1S/C20H22FN3O4/c21-16-3-1-4-17(11-16)28-10-2-5-19(26)23-12-14-6-8-15(9-7-14)20(27)24-13-18(22)25/h1,3-4,6-9,11H,2,5,10,12-13H2,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyDVRFPBFTMPPQTM-UHFFFAOYSA-N
XLogP1.52
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
benzyl 2-[4-(3-fluorophenoxy)butanoylamino]acetate
CID 52715067
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
CID 119042263
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
CID 119283185
3-[4-(3-fluorophenoxy)butanoylamino]-2-phenylpropanoic acid
CID 119254459
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
4-(3-methylphenoxy)-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 24584159

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide (CID 55960270) is N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)CCCOc2cccc(F)c2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide?
The InChIKey is DVRFPBFTMPPQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c21-16-3-1-4-17(11-16)28-10-2-5-19(26)23-12-14-6-8-15(9-7-14)20(27)24-13-18(22)25/h1,3-4,6-9,11H,2,5,10,12-13H2,(H2,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 1.52, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide is sourced from PubChem (CID 55960270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).