N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C20H21FN2O2 — CID 51165809

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c1-15(23-19(24)12-9-16-5-3-2-4-6-16)20(25)22-14-13-17-7-10-18(21)11-8-17/h2-12,15H,13-14H2,1H3,(H,22,25)(H,23,24)/b12-9+
InChIKeyLQPUCYWVEDYYBY-FMIVXFBMSA-N
MW340.40 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 51165809) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID51165809
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c1-15(23-19(24)12-9-16-5-3-2-4-6-16)20(25)22-14-13-17-7-10-18(21)11-8-17/h2-12,15H,13-14H2,1H3,(H,22,25)(H,23,24)/b12-9+
InChIKeyLQPUCYWVEDYYBY-FMIVXFBMSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-phenylprop-2-enoylamino)propanamide
CID 110908948
N-[2-(1H-indol-3-yl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51164019
N-[2-(3-fluorophenyl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 51214636
N-[[4-(dimethylamino)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51221756
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55843820
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161276
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309
N-[(3-chlorophenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51163645

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 51165809) is N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is CC(NC(=O)/C=C/c1ccccc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is LQPUCYWVEDYYBY-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-15(23-19(24)12-9-16-5-3-2-4-6-16)20(25)22-14-13-17-7-10-18(21)11-8-17/h2-12,15H,13-14H2,1H3,(H,22,25)(H,23,24)/b12-9+.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 340.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 51165809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).