N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide

C17H19FN2O — CID 62165093

IUPACN-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-2-10-19-16-8-6-14(7-9-16)17(21)20-12-13-4-3-5-15(18)11-13/h3-9,11,19H,2,10,12H2,1H3,(H,20,21)
InChIKeyAVUDLCPWESEADM-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.58
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide

N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide (PubChem CID 62165093) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
PubChem CID62165093
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-2-10-19-16-8-6-14(7-9-16)17(21)20-12-13-4-3-5-15(18)11-13/h3-9,11,19H,2,10,12H2,1H3,(H,20,21)
InChIKeyAVUDLCPWESEADM-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092
N-benzyl-4-(propylamino)benzamide
CID 62172438
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 104640089
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
N-[(3-fluorophenyl)methyl]-4-[(E)-pent-1-enyl]benzamide
CID 59811460
4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 59811458
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 53282813
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide (CID 62165093) is N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide?
The InChIKey is AVUDLCPWESEADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-10-19-16-8-6-14(7-9-16)17(21)20-12-13-4-3-5-15(18)11-13/h3-9,11,19H,2,10,12H2,1H3,(H,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide?
N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide is sourced from PubChem (CID 62165093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).