4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide

C19H21FN2O3 — CID 110908778

IUPAC4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1)NCc1ccccc1CO
InChIInChI=1S/C19H21FN2O3/c20-17-9-7-14(8-10-17)19(25)21-11-3-6-18(24)22-12-15-4-1-2-5-16(15)13-23/h1-2,4-5,7-10,23H,3,6,11-13H2,(H,21,25)(H,22,24)
InChIKeyGCXQEDSIEBHRKX-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.14
Rot. Bonds8

About 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide

4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide (PubChem CID 110908778) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
PubChem CID110908778
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1)NCc1ccccc1CO
InChIInChI=1S/C19H21FN2O3/c20-17-9-7-14(8-10-17)19(25)21-11-3-6-18(24)22-12-15-4-1-2-5-16(15)13-23/h1-2,4-5,7-10,23H,3,6,11-13H2,(H,21,25)(H,22,24)
InChIKeyGCXQEDSIEBHRKX-UHFFFAOYSA-N
XLogP2.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[4-[2-(4-aminophenyl)ethylamino]-4-oxobutyl]-4-fluorobenzamide
CID 119548004
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide (CID 110908778) is 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1)NCc1ccccc1CO.
What is the InChIKey of 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
The InChIKey is GCXQEDSIEBHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c20-17-9-7-14(8-10-17)19(25)21-11-3-6-18(24)22-12-15-4-1-2-5-16(15)13-23/h1-2,4-5,7-10,23H,3,6,11-13H2,(H,21,25)(H,22,24).
What are the key properties of 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[2-(hydroxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 110908778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).