N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide

C18H21FN2O3 — CID 4612534

IUPACN-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNCc2ccccc2F)cc1OC
InChIInChI=1S/C18H21FN2O3/c1-23-16-8-7-13(11-17(16)24-2)18(22)21-10-9-20-12-14-5-3-4-6-15(14)19/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyYPKRFIFIDWFDDC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.36
Rot. Bonds8

About N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide

N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide (PubChem CID 4612534) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
PubChem CID4612534
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC NameN-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCNCc2ccccc2F)cc1OC
InChIInChI=1S/C18H21FN2O3/c1-23-16-8-7-13(11-17(16)24-2)18(22)21-10-9-20-12-14-5-3-4-6-15(14)19/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyYPKRFIFIDWFDDC-UHFFFAOYSA-N
XLogP2.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591186
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide (CID 4612534) is N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCNCc2ccccc2F)cc1OC.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide?
The InChIKey is YPKRFIFIDWFDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-23-16-8-7-13(11-17(16)24-2)18(22)21-10-9-20-12-14-5-3-4-6-15(14)19/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide?
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide has a molecular weight of 332.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4612534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).