(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide

C18H16Cl2N2O3 — CID 60576632

IUPAC(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-11(23)21-16-7-5-13(25-2)10-17(16)22-18(24)8-4-12-3-6-14(19)15(20)9-12/h3-10H,1-2H3,(H,21,23)(H,22,24)/b8-4+
InChIKeyAAVWEKQWIQFKEZ-XBXARRHUSA-N
MW379.24 g/mol
LogP4.61
Rot. Bonds5

About (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide

(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 60576632) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID60576632
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCOc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-11(23)21-16-7-5-13(25-2)10-17(16)22-18(24)8-4-12-3-6-14(19)15(20)9-12/h3-10H,1-2H3,(H,21,23)(H,22,24)/b8-4+
InChIKeyAAVWEKQWIQFKEZ-XBXARRHUSA-N
XLogP4.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(5-iodofuran-2-yl)prop-2-enamide
CID 60576631
N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
(E)-N-[2-[(2-aminoacetyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 39192678
2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenoxybenzoic acid
CID 67343527

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 60576632) is (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide is COc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is AAVWEKQWIQFKEZ-XBXARRHUSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-11(23)21-16-7-5-13(25-2)10-17(16)22-18(24)8-4-12-3-6-14(19)15(20)9-12/h3-10H,1-2H3,(H,21,23)(H,22,24)/b8-4+.
What are the key properties of (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 379.24 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 60576632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).