4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide

C16H16ClFN2O — CID 43781065

IUPAC4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-10(14-8-5-12(18)9-15(14)17)20-13-6-3-11(4-7-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyNEYPHZLTDVQBIR-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.01
Rot. Bonds4

About 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide

4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide (PubChem CID 43781065) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
PubChem CID43781065
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-10(14-8-5-12(18)9-15(14)17)20-13-6-3-11(4-7-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyNEYPHZLTDVQBIR-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(2-chloro-4-fluorophenyl)ethylamino]phenol
CID 43790400
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43766019
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylbenzamide
CID 43100379
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
4-[1-(2-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43683690
N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-fluorobenzonitrile
CID 62318208
4-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]benzoic acid
CID 43774350
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43766489
4-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-nitroaniline
CID 43785747

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide (CID 43781065) is 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(C)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide?
The InChIKey is NEYPHZLTDVQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(14-8-5-12(18)9-15(14)17)20-13-6-3-11(4-7-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide?
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 43781065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).