2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide

C16H16ClFN2O — CID 60935297

IUPAC2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C)c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-10(11-4-3-5-12(18)8-11)20-13-6-7-15(17)14(9-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyQMOSEUMPNFZYCB-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide

2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide (PubChem CID 60935297) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
PubChem CID60935297
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(C)c2cccc(F)c2)ccc1Cl
InChIInChI=1S/C16H16ClFN2O/c1-10(11-4-3-5-12(18)8-11)20-13-6-7-15(17)14(9-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21)
InChIKeyQMOSEUMPNFZYCB-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

3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline
CID 100694884
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
methyl 2-chloro-5-[1-(3-methylphenyl)ethylamino]benzoate
CID 43778963
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
4-amino-3-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357263
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
CID 60935553
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
CID 54864640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide (CID 60935297) is 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide is CNC(=O)c1cc(NC(C)c2cccc(F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
The InChIKey is QMOSEUMPNFZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10(11-4-3-5-12(18)8-11)20-13-6-7-15(17)14(9-13)16(21)19-2/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide?
2-chloro-5-[1-(3-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 2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 60935297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).