(2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide

C17H21ClN2O — CID 146269453

IUPAC(2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide
SMILESC=C(N)/C=C\C(Cl)=C(/C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H21ClN2O/c1-11(2)14-7-5-6-8-16(14)20-17(21)13(4)15(18)10-9-12(3)19/h5-11H,3,19H2,1-2,4H3,(H,20,21)/b10-9-,15-13-
InChIKeyBJLHBYZHHJJHFT-WQJRBICESA-N
MW304.82 g/mol
LogP4.29
Rot. Bonds5

About (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide

(2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide (PubChem CID 146269453) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide
PubChem CID146269453
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name(2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide
SMILESC=C(N)/C=C\C(Cl)=C(/C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H21ClN2O/c1-11(2)14-7-5-6-8-16(14)20-17(21)13(4)15(18)10-9-12(3)19/h5-11H,3,19H2,1-2,4H3,(H,20,21)/b10-9-,15-13-
InChIKeyBJLHBYZHHJJHFT-WQJRBICESA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide 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

2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-propan-2-ylphenyl)urea
CID 108914569
N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500601
N-(2-propan-2-ylphenyl)ethanethioamide
CID 123184700
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide?
The IUPAC name of (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide (CID 146269453) is (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide.
What is the SMILES notation for (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide?
The canonical SMILES for (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide is C=C(N)/C=C\C(Cl)=C(/C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide?
The InChIKey is BJLHBYZHHJJHFT-WQJRBICESA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-11(2)14-7-5-6-8-16(14)20-17(21)13(4)15(18)10-9-12(3)19/h5-11H,3,19H2,1-2,4H3,(H,20,21)/b10-9-,15-13-.
What are the key properties of (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide?
(2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide has a molecular weight of 304.82 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-amino-3-chloro-2-methyl-N-(2-propan-2-ylphenyl)hepta-2,4,6-trienamide is sourced from PubChem (CID 146269453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).