N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide

C21H26F2N2O — CID 55980382

IUPACN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCC(CC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C21H26F2N2O/c1-16(17-8-10-19(22)11-9-17)14-21(26)25(13-12-24(2)3)15-18-6-4-5-7-20(18)23/h4-11,16H,12-15H2,1-3H3
InChIKeyWCJCMKFRUKJDBY-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide

N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 55980382) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID55980382
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCC(CC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(F)cc1
InChIInChI=1S/C21H26F2N2O/c1-16(17-8-10-19(22)11-9-17)14-21(26)25(13-12-24(2)3)15-18-6-4-5-7-20(18)23/h4-11,16H,12-15H2,1-3H3
InChIKeyWCJCMKFRUKJDBY-UHFFFAOYSA-N
XLogP4.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55925127
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
2-[benzyl-[3-(4-fluorophenyl)butanoyl]amino]acetic acid
CID 119197019
3-[1-(2,4-difluorophenyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 55925361
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
CID 78811483
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55981030
4-bromo-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562661
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 110245433
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide
CID 1384951
(E)-N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 52726416

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide (CID 55980382) is N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide is CC(CC(=O)N(CCN(C)C)Cc1ccccc1F)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is WCJCMKFRUKJDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c1-16(17-8-10-19(22)11-9-17)14-21(26)25(13-12-24(2)3)15-18-6-4-5-7-20(18)23/h4-11,16H,12-15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide?
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 360.45 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 55980382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).