N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide

C22H28FN3O2 — CID 113063996

IUPACN-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)c2ccccc2F)C(C)=O)c(C)c1
InChIInChI=1S/C22H28FN3O2/c1-5-25(6-2)18-11-12-21(16(3)15-18)26(17(4)27)14-13-24-22(28)19-9-7-8-10-20(19)23/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,28)
InChIKeyLYRRCEPARGNKOP-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.76
Rot. Bonds8

About N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide

N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide (PubChem CID 113063996) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
PubChem CID113063996
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
SMILESCCN(CC)c1ccc(N(CCNC(=O)c2ccccc2F)C(C)=O)c(C)c1
InChIInChI=1S/C22H28FN3O2/c1-5-25(6-2)18-11-12-21(16(3)15-18)26(17(4)27)14-13-24-22(28)19-9-7-8-10-20(19)23/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,28)
InChIKeyLYRRCEPARGNKOP-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
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-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
CID 113062914
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
CID 113180493
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062279
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide (CID 113063996) is N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide is CCN(CC)c1ccc(N(CCNC(=O)c2ccccc2F)C(C)=O)c(C)c1.
What is the InChIKey of N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide?
The InChIKey is LYRRCEPARGNKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-5-25(6-2)18-11-12-21(16(3)15-18)26(17(4)27)14-13-24-22(28)19-9-7-8-10-20(19)23/h7-12,15H,5-6,13-14H2,1-4H3,(H,24,28).
What are the key properties of N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide?
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide has a molecular weight of 385.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113063996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).