3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide

C19H20FN3O2 — CID 82034725

IUPAC3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCN)cc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-2-8-16(22-19(25)10-11-21)12-17(13)23-18(24)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,25)(H,23,24)/b9-5+
InChIKeyNSCPPLQLOCWRAR-WEVVVXLNSA-N
MW341.39 g/mol
LogP3.07
Rot. Bonds6

About 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide

3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide (PubChem CID 82034725) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide
PubChem CID82034725
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCN)cc1NC(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-2-8-16(22-19(25)10-11-21)12-17(13)23-18(24)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,25)(H,23,24)/b9-5+
InChIKeyNSCPPLQLOCWRAR-WEVVVXLNSA-N
XLogP3.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-methyl-4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034593
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494098
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 54777513
(E)-N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 39185996
(E)-N-(3-acetamido-4-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 54777118
4-fluoro-N-[4-methyl-3-(3-pyrimidin-5-ylprop-2-enoylamino)phenyl]benzamide
CID 67494450
3-amino-N-[2-chloro-5-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]propanamide
CID 82034414
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-3-(3-chloro-4-fluorophenyl)-N-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 9097738
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide?
The IUPAC name of 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide (CID 82034725) is 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide is Cc1ccc(NC(=O)CCN)cc1NC(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide?
The InChIKey is NSCPPLQLOCWRAR-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-2-8-16(22-19(25)10-11-21)12-17(13)23-18(24)9-5-14-3-6-15(20)7-4-14/h2-9,12H,10-11,21H2,1H3,(H,22,25)(H,23,24)/b9-5+.
What are the key properties of 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide?
3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide has a molecular weight of 341.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 82034725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).