(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide

C21H25FN2O — CID 8829973

IUPAC(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)NC2CC2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H25FN2O/c1-3-15-7-9-16(10-8-15)20(17-5-4-6-18(22)13-17)23-14(2)21(25)24-19-11-12-19/h4-10,13-14,19-20,23H,3,11-12H2,1-2H3,(H,24,25)/t14-,20+/m1/s1
InChIKeyZPRHAOZIPKULSI-VLIAUNLRSA-N
MW340.44 g/mol
LogP3.73
Rot. Bonds7

About (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide

(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide (PubChem CID 8829973) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
PubChem CID8829973
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)NC2CC2)c2cccc(F)c2)cc1
InChIInChI=1S/C21H25FN2O/c1-3-15-7-9-16(10-8-15)20(17-5-4-6-18(22)13-17)23-14(2)21(25)24-19-11-12-19/h4-10,13-14,19-20,23H,3,11-12H2,1-2H3,(H,24,25)/t14-,20+/m1/s1
InChIKeyZPRHAOZIPKULSI-VLIAUNLRSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843
(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide
CID 8830559
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719979
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
N-cyclopropyl-2-(4-ethylanilino)-2-(4-fluorophenyl)acetamide
CID 42931280
2-[1-(3-chlorophenyl)propylamino]-N-cyclopropylpropanamide
CID 112551799
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8720043

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide (CID 8829973) is (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide is CCc1ccc([C@H](N[C@H](C)C(=O)NC2CC2)c2cccc(F)c2)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
The InChIKey is ZPRHAOZIPKULSI-VLIAUNLRSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-3-15-7-9-16(10-8-15)20(17-5-4-6-18(22)13-17)23-14(2)21(25)24-19-11-12-19/h4-10,13-14,19-20,23H,3,11-12H2,1-2H3,(H,24,25)/t14-,20+/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide has a molecular weight of 340.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 8829973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).