(2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide

C19H23FN2O — CID 9262715

IUPAC(2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide
SMILESCC[C@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H23FN2O/c1-4-18(15-7-5-13(2)6-8-15)21-14(3)19(23)22-17-11-9-16(20)10-12-17/h5-12,14,18,21H,4H2,1-3H3,(H,22,23)/t14-,18-/m0/s1
InChIKeyZVHQORPNPMFUTD-KSSFIOAISA-N
MW314.40 g/mol
LogP4.20
Rot. Bonds6

About (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide

(2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide (PubChem CID 9262715) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide
PubChem CID9262715
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide
SMILESCC[C@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H23FN2O/c1-4-18(15-7-5-13(2)6-8-15)21-14(3)19(23)22-17-11-9-16(20)10-12-17/h5-12,14,18,21H,4H2,1-3H3,(H,22,23)/t14-,18-/m0/s1
InChIKeyZVHQORPNPMFUTD-KSSFIOAISA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-2-hydroxy-N-(4-methylphenyl)acetamide
CID 82132590
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-(4-fluorophenyl)-2-[4-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719352
N-(4-fluorophenyl)-2-[4-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719356
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073
N,2-bis(4-methylphenyl)butanamide
CID 2750915
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401
N-cyclopropyl-2-(4-fluorophenyl)-2-[1-(4-methylphenyl)propylamino]acetamide
CID 42931250
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide (CID 9262715) is (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide is CC[C@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1)c1ccc(C)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide?
The InChIKey is ZVHQORPNPMFUTD-KSSFIOAISA-N. The full InChI is InChI=1S/C19H23FN2O/c1-4-18(15-7-5-13(2)6-8-15)21-14(3)19(23)22-17-11-9-16(20)10-12-17/h5-12,14,18,21H,4H2,1-3H3,(H,22,23)/t14-,18-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide?
(2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide has a molecular weight of 314.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propanamide is sourced from PubChem (CID 9262715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).