N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide

C20H26FN3O — CID 108997613

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCc2ccccc2F)c(C)c1
InChIInChI=1S/C20H26FN3O/c1-4-24(5-2)17-10-11-19(15(3)12-17)23-20(25)14-22-13-16-8-6-7-9-18(16)21/h6-12,22H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyNNQHAEUJCPEKLS-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.71
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide (PubChem CID 108997613) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
PubChem CID108997613
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNCc2ccccc2F)c(C)c1
InChIInChI=1S/C20H26FN3O/c1-4-24(5-2)17-10-11-19(15(3)12-17)23-20(25)14-22-13-16-8-6-7-9-18(16)21/h6-12,22H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyNNQHAEUJCPEKLS-UHFFFAOYSA-N
XLogP3.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999
N-[4-(diethylamino)-2-methylphenyl]-2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53199067
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
CID 108522130
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729
N-[4-(diethylamino)-2-methylphenyl]-2-(3-phenylpropylamino)acetamide
CID 109005120
N-[4-(diethylamino)-2-methylphenyl]-2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]acetamide
CID 12004865
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide (CID 108997613) is N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide is CCN(CC)c1ccc(NC(=O)CNCc2ccccc2F)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide?
The InChIKey is NNQHAEUJCPEKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-4-24(5-2)17-10-11-19(15(3)12-17)23-20(25)14-22-13-16-8-6-7-9-18(16)21/h6-12,22H,4-5,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide is sourced from PubChem (CID 108997613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).