2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide

C19H15ClN2O3 — CID 9399460

IUPAC2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C19H15ClN2O3/c20-14-6-7-17-13(10-14)9-12(11-25-17)5-8-18(23)22-16-4-2-1-3-15(16)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23)/b8-5+
InChIKeyCNUZNNZTKQVJRN-VMPITWQZSA-N
MW354.79 g/mol
LogP3.41
Rot. Bonds4

About 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide

2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide (PubChem CID 9399460) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
PubChem CID9399460
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C19H15ClN2O3/c20-14-6-7-17-13(10-14)9-12(11-25-17)5-8-18(23)22-16-4-2-1-3-15(16)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23)/b8-5+
InChIKeyCNUZNNZTKQVJRN-VMPITWQZSA-N
XLogP3.41
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.41
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)-3-(6-chloro-2H-chromen-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24516163
2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 134025055
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-(6-chloro-2H-chromen-3-yl)prop-2-enamide
CID 60621212
(E)-3-(6-chloro-2H-chromen-3-yl)-1-(2-fluorophenyl)prop-2-en-1-one
CID 46192447
(E)-1-(2-bromophenyl)-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one
CID 46192581
(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719417
(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
CID 7465060
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
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide (CID 9399460) is 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide?
The InChIKey is CNUZNNZTKQVJRN-VMPITWQZSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-14-6-7-17-13(10-14)9-12(11-25-17)5-8-18(23)22-16-4-2-1-3-15(16)19(21)24/h1-10H,11H2,(H2,21,24)(H,22,23)/b8-5+.
What are the key properties of 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide?
2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide has a molecular weight of 354.79 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 9399460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).