N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide

C16H14FNO2 — CID 87952019

IUPACN-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
SMILESO=Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2/c17-15-7-3-12(4-8-15)9-10-18-16(20)14-5-1-13(11-19)2-6-14/h1-8,11H,9-10H2,(H,18,20)
InChIKeyPFVUKYABZKQOCV-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide

N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide (PubChem CID 87952019) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
PubChem CID87952019
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
SMILESO=Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FNO2/c17-15-7-3-12(4-8-15)9-10-18-16(20)14-5-1-13(11-19)2-6-14/h1-8,11H,9-10H2,(H,18,20)
InChIKeyPFVUKYABZKQOCV-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-fluorophenyl)ethyl]-4-(1,1,2,2,2-pentafluoroethyl)benzamide
CID 86613992
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide (CID 87952019) is N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide is O=Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide?
The InChIKey is PFVUKYABZKQOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-15-7-3-12(4-8-15)9-10-18-16(20)14-5-1-13(11-19)2-6-14/h1-8,11H,9-10H2,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide?
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide has a molecular weight of 271.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide is sourced from PubChem (CID 87952019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).