2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C14H18ClF3N2O — CID 109006150

IUPAC2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H18ClF3N2O/c1-3-4-7-20(2)9-13(21)19-12-8-10(14(16,17)18)5-6-11(12)15/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyHMTYONOYAJYVSV-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.03
Rot. Bonds6

About 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 109006150) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID109006150
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCCN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H18ClF3N2O/c1-3-4-7-20(2)9-13(21)19-12-8-10(14(16,17)18)5-6-11(12)15/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,21)
InChIKeyHMTYONOYAJYVSV-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
2-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588758
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965256
3-[2-chloro-5-(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 108990980
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270870
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
5-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109196096
2-[acetyl(3-methoxypropyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113160139
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 109006150) is 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CCCCN(C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HMTYONOYAJYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-3-4-7-20(2)9-13(21)19-12-8-10(14(16,17)18)5-6-11(12)15/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,21).
What are the key properties of 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 322.76 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109006150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).