N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide

C16H17FN2O — CID 110472543

IUPACN-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
SMILESCN(C)c1cccc(CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c1-19(2)15-5-3-4-12(10-15)11-18-16(20)13-6-8-14(17)9-7-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyYAKMQBMOVCFRAS-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.82
Rot. Bonds4

About N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide

N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide (PubChem CID 110472543) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
PubChem CID110472543
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
SMILESCN(C)c1cccc(CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O/c1-19(2)15-5-3-4-12(10-15)11-18-16(20)13-6-8-14(17)9-7-13/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyYAKMQBMOVCFRAS-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
N-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 110470852
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
N-[[3-(dimethylamino)phenyl]methyl]-3-oxobutanamide
CID 110470657
1-(2-bromo-4-fluorophenyl)-3-[[3-(dimethylamino)phenyl]methyl]urea
CID 51129478
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111230867
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide (CID 110472543) is N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide is CN(C)c1cccc(CNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide?
The InChIKey is YAKMQBMOVCFRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(2)15-5-3-4-12(10-15)11-18-16(20)13-6-8-14(17)9-7-13/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide?
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 110472543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).