(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide

C20H26FN3O — CID 97139155

IUPAC(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCN(C)c1ccc(CCNC(=O)[C@H](c2ccccc2F)N(C)C)cc1
InChIInChI=1S/C20H26FN3O/c1-23(2)16-11-9-15(10-12-16)13-14-22-20(25)19(24(3)4)17-7-5-6-8-18(17)21/h5-12,19H,13-14H2,1-4H3,(H,22,25)/t19-/m0/s1
InChIKeyFSZJNLWZUYYKNU-IBGZPJMESA-N
MW343.45 g/mol
LogP2.85
Rot. Bonds7

About (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide

(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 97139155) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID97139155
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCN(C)c1ccc(CCNC(=O)[C@H](c2ccccc2F)N(C)C)cc1
InChIInChI=1S/C20H26FN3O/c1-23(2)16-11-9-15(10-12-16)13-14-22-20(25)19(24(3)4)17-7-5-6-8-18(17)21/h5-12,19H,13-14H2,1-4H3,(H,22,25)/t19-/m0/s1
InChIKeyFSZJNLWZUYYKNU-IBGZPJMESA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 72890893
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307160
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266859

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide (CID 97139155) is (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide is CN(C)c1ccc(CCNC(=O)[C@H](c2ccccc2F)N(C)C)cc1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is FSZJNLWZUYYKNU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26FN3O/c1-23(2)16-11-9-15(10-12-16)13-14-22-20(25)19(24(3)4)17-7-5-6-8-18(17)21/h5-12,19H,13-14H2,1-4H3,(H,22,25)/t19-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide?
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 97139155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).