N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide

C16H19Cl2F3N2O — CID 18761079

IUPACN-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide
SMILESC=CCC(CN(C)C(=O)CC(F)(F)F)(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2F3N2O/c1-4-7-15(22-2,11-5-6-12(17)13(18)8-11)10-23(3)14(24)9-16(19,20)21/h4-6,8,22H,1,7,9-10H2,2-3H3
InChIKeyPIVZSASOUHNKSC-UHFFFAOYSA-N
MW383.24 g/mol
LogP4.39
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide

N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 18761079) has the molecular formula C16H19Cl2F3N2O and a molecular weight of 383.24 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide
PubChem CID18761079
Molecular FormulaC16H19Cl2F3N2O
Molecular Weight383.24 g/mol
Exact Mass382.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide
SMILESC=CCC(CN(C)C(=O)CC(F)(F)F)(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2F3N2O/c1-4-7-15(22-2,11-5-6-12(17)13(18)8-11)10-23(3)14(24)9-16(19,20)21/h4-6,8,22H,1,7,9-10H2,2-3H3
InChIKeyPIVZSASOUHNKSC-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2,3-dichlorophenyl)methyl-[(2S)-2-(3,4-dichlorophenyl)-1-[methyl(3,3,3-trifluoropropanoyl)amino]pent-4-en-2-yl]carbamic acid
CID 87858220
(3-methoxyphenyl) N-[(2S)-2-(3,4-dichlorophenyl)-1-[methyl(3,3,3-trifluoropropanoyl)amino]pent-4-en-2-yl]-N-methylcarbamate
CID 58696270
N-[(2S)-2-(3,4-dichlorophenyl)-1-[methyl(3,3,3-trifluoropropanoyl)amino]pent-4-en-2-yl]-N-[(2-methoxyphenyl)methyl]carbamate
CID 152759332
[4-(3,4-dichlorophenyl)-2,2-dimethyl-4-[[methyl(3,3,3-trifluoropropanoyl)amino]methyl]-6-oxohexan-3-yl]carbamic acid
CID 87858153
(3,4-dichlorophenyl) N-[(2S)-2-(3,4-dichlorophenyl)-1-[3,3-difluorobutanoyl(methyl)amino]pent-4-en-2-yl]-N-methylcarbamate
CID 142995618
N-[(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)-4-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-3,3,3-trifluoro-N-methylpropanamide
CID 58696266
N-[2-(3,4-dichlorophenyl)-2-(methylamino)-4-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-3,3,3-trifluoro-N-methylpropanamide
CID 23117533
2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-en-1-ol;(2R,3R)-2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid
CID 131726620
N-[2-[[(2-chloro-2,2-difluoroacetyl)-methylamino]methyl]-2-(3,4-dichlorophenyl)pent-4-enyl]carbamate
CID 23117629
(3,4-dichlorophenyl)methyl-[(2S)-2-(3,4-dichlorophenyl)-1-[methyl(3,3,3-trifluoropropanoyl)amino]-5-oxopentan-2-yl]carbamic acid
CID 87858212
tert-butyl-[(2S)-2-(3,4-dichlorophenyl)-4,5-dihydroxy-2-[[methyl(3,3,3-trifluoropropanoyl)amino]methyl]pentyl]carbamic acid
CID 69495940
tert-butyl-[2-(3,4-dichlorophenyl)-4,5-dihydroxy-2-[[methyl(3,3,3-trifluoropropanoyl)amino]methyl]pentyl]carbamic acid
CID 69495942

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide (CID 18761079) is N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide is C=CCC(CN(C)C(=O)CC(F)(F)F)(NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is PIVZSASOUHNKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2F3N2O/c1-4-7-15(22-2,11-5-6-12(17)13(18)8-11)10-23(3)14(24)9-16(19,20)21/h4-6,8,22H,1,7,9-10H2,2-3H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide?
N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 383.24 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 18761079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).