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

C16H17FN2O — CID 62165092

IUPAC4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCNc1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-2-18-15-8-6-13(7-9-15)16(20)19-11-12-4-3-5-14(17)10-12/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyCCLFSTVWENFFPH-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.19
Rot. Bonds5

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

4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 62165092) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID62165092
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCNc1ccc(C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c1-2-18-15-8-6-13(7-9-15)16(20)19-11-12-4-3-5-14(17)10-12/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyCCLFSTVWENFFPH-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-(propylamino)benzamide
CID 62165093
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
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]-4-[(E)-pent-1-enyl]benzamide
CID 59811460
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 53282813
N-benzyl-4-(propylamino)benzamide
CID 62172438
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide (CID 62165092) is 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide is CCNc1ccc(C(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is CCLFSTVWENFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-2-18-15-8-6-13(7-9-15)16(20)19-11-12-4-3-5-14(17)10-12/h3-10,18H,2,11H2,1H3,(H,19,20).
What are the key properties of 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide?
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 62165092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).