(E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide

C19H19FN2O — CID 10244883

IUPAC(E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)CCN2
InChIInChI=1S/C19H19FN2O/c1-13(15-6-8-18-16(12-15)10-11-21-18)22-19(23)9-7-14-4-2-3-5-17(14)20/h2-9,12-13,21H,10-11H2,1H3,(H,22,23)/b9-7+/t13-/m0/s1
InChIKeyKHUBJOVCROIKAR-XOVSCCBYSA-N
MW310.37 g/mol
LogP3.68
Rot. Bonds4

About (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide

(E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 10244883) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
PubChem CID10244883
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name(E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)CCN2
InChIInChI=1S/C19H19FN2O/c1-13(15-6-8-18-16(12-15)10-11-21-18)22-19(23)9-7-14-4-2-3-5-17(14)20/h2-9,12-13,21H,10-11H2,1H3,(H,22,23)/b9-7+/t13-/m0/s1
InChIKeyKHUBJOVCROIKAR-XOVSCCBYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.68
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

LY-3381916
CID 132209614
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
Iferanserin
CID 6445539
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
(2S)-N-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 11200735
3-(4-Dimethylaminobenzylidenyl)-2-indolinone
CID 3135
(2S)-N-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648349
3H-Pyrido[3,4-b]indol-3-one, 2,9-dihydro-
CID 14146438
N-(2,4-dimethylphenyl)-2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 942741
N-(6-Methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-m-tolyl-ethyl)-acetamide
CID 1453546
6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176405
3-(ethylaminomethyl)-6-methyl-1H-quinolin-2-one
CID 663640

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide (CID 10244883) is (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide is C[C@H](NC(=O)/C=C/c1ccccc1F)c1ccc2c(c1)CCN2.
What is the InChIKey of (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is KHUBJOVCROIKAR-XOVSCCBYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13(15-6-8-18-16(12-15)10-11-21-18)22-19(23)9-7-14-4-2-3-5-17(14)20/h2-9,12-13,21H,10-11H2,1H3,(H,22,23)/b9-7+/t13-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide?
(E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 310.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 10244883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).