(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide

C20H23FN2O2 — CID 134536633

IUPAC(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)NC1COc2ccccc2C1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-13(14-8-10-15(21)11-9-14)20(24)22-17-12-25-18-7-5-4-6-16(18)19(17)23(2)3/h4-11,13,17,19H,12H2,1-3H3,(H,22,24)/t13-,17?,19?/m0/s1
InChIKeyFPGLVIRWDCKFIT-LJSZUPLFSA-N
MW342.41 g/mol
LogP3.11
Rot. Bonds4

About (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide

(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide (PubChem CID 134536633) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide
PubChem CID134536633
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)NC1COc2ccccc2C1N(C)C)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-13(14-8-10-15(21)11-9-14)20(24)22-17-12-25-18-7-5-4-6-16(18)19(17)23(2)3/h4-11,13,17,19H,12H2,1-3H3,(H,22,24)/t13-,17?,19?/m0/s1
InChIKeyFPGLVIRWDCKFIT-LJSZUPLFSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl)propanamide
CID 172873483
(2S)-N-[(3S,4S)-4-methylsulfanyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 146234615
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521718
N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521738
(2S)-N-[(1S,2S)-1-(2,2-difluoroethylamino)-2,3-dihydro-1H-inden-2-yl]-2-(4-fluorophenyl)propanamide
CID 137441352
2-(4-fluorophenyl)-N-[(1R,2R)-1-(3-hydroxyazetidin-1-yl)-2,3-dihydro-1H-inden-2-yl]propanamide
CID 137441290
2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 134536580
1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 109396810
(1R)-2-[[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-1-(4-fluorophenyl)ethanol
CID 99822644
(3S)-N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213431
1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
CID 166350491
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide (CID 134536633) is (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide is C[C@H](C(=O)NC1COc2ccccc2C1N(C)C)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide?
The InChIKey is FPGLVIRWDCKFIT-LJSZUPLFSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13(14-8-10-15(21)11-9-14)20(24)22-17-12-25-18-7-5-4-6-16(18)19(17)23(2)3/h4-11,13,17,19H,12H2,1-3H3,(H,22,24)/t13-,17?,19?/m0/s1.
What are the key properties of (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide?
(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 134536633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).