4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide

C19H20ClF3N2O2 — CID 143603942

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide
SMILESCC(CCN)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O2/c1-18(10-11-24,17(26)25-12-13-2-6-15(20)7-3-13)27-16-8-4-14(5-9-16)19(21,22)23/h2-9H,10-12,24H2,1H3,(H,25,26)
InChIKeyNCIWFYVLPFKQHQ-UHFFFAOYSA-N
MW400.83 g/mol
LogP4.16
Rot. Bonds7

About 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide

4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide (PubChem CID 143603942) has the molecular formula C19H20ClF3N2O2 and a molecular weight of 400.83 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide
PubChem CID143603942
Molecular FormulaC19H20ClF3N2O2
Molecular Weight400.83 g/mol
Exact Mass400.12
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide
SMILESCC(CCN)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O2/c1-18(10-11-24,17(26)25-12-13-2-6-15(20)7-3-13)27-16-8-4-14(5-9-16)19(21,22)23/h2-9H,10-12,24H2,1H3,(H,25,26)
InChIKeyNCIWFYVLPFKQHQ-UHFFFAOYSA-N
XLogP4.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.83
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-amino-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61259411
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35650171
2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
CID 119317662
2-(4-chlorophenoxy)-N-[(4-cyanophenyl)methyl]-2-methylpropanamide
CID 134035338
2-amino-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 79814612
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2555475
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide (CID 143603942) is 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide is CC(CCN)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide?
The InChIKey is NCIWFYVLPFKQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-18(10-11-24,17(26)25-12-13-2-6-15(20)7-3-13)27-16-8-4-14(5-9-16)19(21,22)23/h2-9H,10-12,24H2,1H3,(H,25,26).
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide?
4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide has a molecular weight of 400.83 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]butanamide is sourced from PubChem (CID 143603942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).