(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide

C20H16BrClN2O3 — CID 60621212

IUPAC(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H16BrClN2O3/c1-12(25)23-17-5-3-15(21)10-18(17)24-20(26)7-2-13-8-14-9-16(22)4-6-19(14)27-11-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)/b7-2+
InChIKeyGOANAUUUSMGSNB-FARCUNLSSA-N
MW447.72 g/mol
LogP5.03
Rot. Bonds4

About (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide

(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide (PubChem CID 60621212) has the molecular formula C20H16BrClN2O3 and a molecular weight of 447.72 g/mol. Its IUPAC name is (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide
PubChem CID60621212
Molecular FormulaC20H16BrClN2O3
Molecular Weight447.72 g/mol
Exact Mass446.00
IUPAC Name(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide
SMILESCC(=O)Nc1ccc(Br)cc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H16BrClN2O3/c1-12(25)23-17-5-3-15(21)10-18(17)24-20(26)7-2-13-8-14-9-16(22)4-6-19(14)27-11-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)/b7-2+
InChIKeyGOANAUUUSMGSNB-FARCUNLSSA-N
XLogP5.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.72
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide 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-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
CID 9399460
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(6-chloro-2H-chromen-3-yl)-N-methylprop-2-enamide
CID 26760889
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24516163
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 55795367
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 46192582
(E)-1-(2-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one
CID 46192581
3-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614186
(E)-N-(2-acetamido-5-bromophenyl)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 60621079
(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719417
3-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide
CID 26787994
3-(6-chloro-2H-chromen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111471268
N-[4-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782149

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide (CID 60621212) is (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide is CC(=O)Nc1ccc(Br)cc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide?
The InChIKey is GOANAUUUSMGSNB-FARCUNLSSA-N. The full InChI is InChI=1S/C20H16BrClN2O3/c1-12(25)23-17-5-3-15(21)10-18(17)24-20(26)7-2-13-8-14-9-16(22)4-6-19(14)27-11-13/h2-10H,11H2,1H3,(H,23,25)(H,24,26)/b7-2+.
What are the key properties of (E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide?
(E)-N-(2-acetamido-5-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide has a molecular weight of 447.72 g/mol, XLogP of 5.03, 4 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-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-enamide is sourced from PubChem (CID 60621212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).