(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide

C15H19Cl2F2N3O2 — CID 162609725

IUPAC(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)NC(=O)/C(=C/N)C(N)C(F)F
InChIInChI=1S/C15H19Cl2F2N3O2/c1-7(22-15(23)10(6-20)12(21)14(18)19)13(24-2)9-4-3-8(16)5-11(9)17/h3-7,12-14H,20-21H2,1-2H3,(H,22,23)/b10-6+
InChIKeyHLBQMMLZTXRJNR-UXBLZVDNSA-N
MW382.24 g/mol
LogP2.62
Rot. Bonds7

About (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide

(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide (PubChem CID 162609725) has the molecular formula C15H19Cl2F2N3O2 and a molecular weight of 382.24 g/mol. Its IUPAC name is (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide.

Molecular Properties

Compound Name(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide
PubChem CID162609725
Molecular FormulaC15H19Cl2F2N3O2
Molecular Weight382.24 g/mol
Exact Mass381.08
IUPAC Name(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide
SMILESCOC(c1ccc(Cl)cc1Cl)C(C)NC(=O)/C(=C/N)C(N)C(F)F
InChIInChI=1S/C15H19Cl2F2N3O2/c1-7(22-15(23)10(6-20)12(21)14(18)19)13(24-2)9-4-3-8(16)5-11(9)17/h3-7,12-14H,20-21H2,1-2H3,(H,22,23)/b10-6+
InChIKeyHLBQMMLZTXRJNR-UXBLZVDNSA-N
XLogP2.62
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide 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-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 25102833
[3-(difluoromethyl)-1-methylpyrazol-4-yl] N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]carbamate
CID 67424789
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-N-oxidohydroxylamine
CID 163640824
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
methyl 3-(2,4-dichlorophenyl)-3-methoxy-2-(6-methyl-2-pyridinyl)propanoate
CID 605155
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
methyl 2-(2,4-dichlorophenyl)pent-4-enoate
CID 21499630
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]decan-1-amine;3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid
CID 159266149
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315

Frequently Asked Questions

What is the IUPAC name of (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide?
The IUPAC name of (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide (CID 162609725) is (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide.
What is the SMILES notation for (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide?
The canonical SMILES for (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide is COC(c1ccc(Cl)cc1Cl)C(C)NC(=O)/C(=C/N)C(N)C(F)F.
What is the InChIKey of (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide?
The InChIKey is HLBQMMLZTXRJNR-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H19Cl2F2N3O2/c1-7(22-15(23)10(6-20)12(21)14(18)19)13(24-2)9-4-3-8(16)5-11(9)17/h3-7,12-14H,20-21H2,1-2H3,(H,22,23)/b10-6+.
What are the key properties of (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide?
(2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide has a molecular weight of 382.24 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-amino-2-(aminomethylidene)-N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-4,4-difluorobutanamide is sourced from PubChem (CID 162609725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).