N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide

C18H18ClF3N2O — CID 109020527

IUPACN-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O/c1-24(12-13-5-3-2-4-6-13)17(25)9-10-23-14-7-8-16(19)15(11-14)18(20,21)22/h2-8,11,23H,9-10,12H2,1H3
InChIKeyWIVQAJJULSMHAE-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.82
Rot. Bonds6

About N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide

N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide (PubChem CID 109020527) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
PubChem CID109020527
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC NameN-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H18ClF3N2O/c1-24(12-13-5-3-2-4-6-13)17(25)9-10-23-14-7-8-16(19)15(11-14)18(20,21)22/h2-8,11,23H,9-10,12H2,1H3
InChIKeyWIVQAJJULSMHAE-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

N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
N'-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-propan-2-yloxamide
CID 108503417
N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512
2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
N-benzyl-N-methyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109020525
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
CID 55866324
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide (CID 109020527) is N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide?
The InChIKey is WIVQAJJULSMHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c1-24(12-13-5-3-2-4-6-13)17(25)9-10-23-14-7-8-16(19)15(11-14)18(20,21)22/h2-8,11,23H,9-10,12H2,1H3.
What are the key properties of N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide?
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide 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 N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]-N-methylpropanamide is sourced from PubChem (CID 109020527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).