N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide

C18H21FN2O — CID 119548314

IUPACN-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-13(15-3-2-4-16(19)12-15)11-18(22)21-10-9-14-5-7-17(20)8-6-14/h2-8,12-13H,9-11,20H2,1H3,(H,21,22)
InChIKeyHOSZNTFPFASDGK-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.26
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide

N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide (PubChem CID 119548314) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
PubChem CID119548314
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
SMILESCC(CC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-13(15-3-2-4-16(19)12-15)11-18(22)21-10-9-14-5-7-17(20)8-6-14/h2-8,12-13H,9-11,20H2,1H3,(H,21,22)
InChIKeyHOSZNTFPFASDGK-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[3-(3-fluorophenyl)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255461
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
CID 86961979
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119547903
(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
CID 97317190
3-(4-aminophenyl)-N-(2-thiophen-3-ylethyl)butanamide
CID 104502469
3-(3-fluorophenyl)-N-(2-phenylethyl)-3-pyrrol-1-ylpropanamide
CID 46342788
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide (CID 119548314) is N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide is CC(CC(=O)NCCc1ccc(N)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide?
The InChIKey is HOSZNTFPFASDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-13(15-3-2-4-16(19)12-15)11-18(22)21-10-9-14-5-7-17(20)8-6-14/h2-8,12-13H,9-11,20H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide?
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide has a molecular weight of 300.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide is sourced from PubChem (CID 119548314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).