N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide

C20H25FN2O — CID 110307160

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H25FN2O/c1-15(14-17-6-4-5-7-19(17)21)20(24)22-13-12-16-8-10-18(11-9-16)23(2)3/h4-11,15H,12-14H2,1-3H3,(H,22,24)
InChIKeyYRRWCFOPBCBACY-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.43
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 110307160) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
PubChem CID110307160
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NCCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H25FN2O/c1-15(14-17-6-4-5-7-19(17)21)20(24)22-13-12-16-8-10-18(11-9-16)23(2)3/h4-11,15H,12-14H2,1-3H3,(H,22,24)
InChIKeyYRRWCFOPBCBACY-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298791
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110298783
1-[[4-(dimethylamino)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 38949164
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111266859
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 16890483
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111265331
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
3-[4-(dimethylamino)phenyl]-N-hydroxy-2-methylpropanamide
CID 20684753
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide (CID 110307160) is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide is CC(Cc1ccccc1F)C(=O)NCCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is YRRWCFOPBCBACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-15(14-17-6-4-5-7-19(17)21)20(24)22-13-12-16-8-10-18(11-9-16)23(2)3/h4-11,15H,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 328.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 110307160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).