3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

C18H18ClF3N2O — CID 109020666

IUPAC3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-24(12-13-5-3-2-4-6-13)10-9-17(25)23-16-8-7-14(19)11-15(16)18(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyZRNJRAXIADSCSU-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.82
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide

3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109020666) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
PubChem CID109020666
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC Name3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1
InChIInChI=1S/C18H18ClF3N2O/c1-24(12-13-5-3-2-4-6-13)10-9-17(25)23-16-8-7-14(19)11-15(16)18(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyZRNJRAXIADSCSU-UHFFFAOYSA-N
XLogP4.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
1-benzyl-3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylurea
CID 108988898
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036576
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
N'-benzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2-hydroxyethyl)oxamide
CID 108523839
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689
benzyl 6-[4-chloro-2-(trifluoromethyl)anilino]-6-oxohexanoate
CID 139776728
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide (CID 109020666) is 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is CN(CCC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZRNJRAXIADSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-24(12-13-5-3-2-4-6-13)10-9-17(25)23-16-8-7-14(19)11-15(16)18(20,21)22/h2-8,11H,9-10,12H2,1H3,(H,23,25).
What are the key properties of 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide?
3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 370.80 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109020666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).