N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide

C26H28FN3O2 — CID 42859313

IUPACN-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
SMILESCN(C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C26H28FN3O2/c1-29(2)15-14-28-25(31)17-21-10-6-13-24(16-21)30(19-20-8-4-3-5-9-20)26(32)22-11-7-12-23(27)18-22/h3-13,16,18H,14-15,17,19H2,1-2H3,(H,28,31)
InChIKeyTWIGQZTZHMPAMY-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.89
Rot. Bonds9

About N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide

N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide (PubChem CID 42859313) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
PubChem CID42859313
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
SMILESCN(C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C26H28FN3O2/c1-29(2)15-14-28-25(31)17-21-10-6-13-24(16-21)30(19-20-8-4-3-5-9-20)26(32)22-11-7-12-23(27)18-22/h3-13,16,18H,14-15,17,19H2,1-2H3,(H,28,31)
InChIKeyTWIGQZTZHMPAMY-UHFFFAOYSA-N
XLogP3.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 42859312
3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46162461
N-[2-(dimethylamino)ethyl]-2-[3-[(4-methylphenyl)methyl-(2-phenoxyacetyl)amino]phenyl]acetamide
CID 46057198
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
3-fluoro-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]benzamide
CID 46057014
3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481
N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 42859274
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide (CID 42859313) is N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide is CN(C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
The InChIKey is TWIGQZTZHMPAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-29(2)15-14-28-25(31)17-21-10-6-13-24(16-21)30(19-20-8-4-3-5-9-20)26(32)22-11-7-12-23(27)18-22/h3-13,16,18H,14-15,17,19H2,1-2H3,(H,28,31).
What are the key properties of N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide?
N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide has a molecular weight of 433.53 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 42859313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).