(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate

C20H19ClNO5- — CID 7481722

IUPAC(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1OCC
InChIInChI=1S/C20H20ClNO5/c1-3-26-17-10-5-13(12-18(17)27-4-2)11-16(20(24)25)22-19(23)14-6-8-15(21)9-7-14/h5-12H,3-4H2,1-2H3,(H,22,23)(H,24,25)/p-1/b16-11+
InChIKeyWDKIIIGXBOOQCB-LFIBNONCSA-M
MW388.83 g/mol
LogP2.66
Rot. Bonds8

About (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate

(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate (PubChem CID 7481722) has the molecular formula C20H19ClNO5- and a molecular weight of 388.83 g/mol. Its IUPAC name is (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate
PubChem CID7481722
Molecular FormulaC20H19ClNO5-
Molecular Weight388.83 g/mol
Exact Mass388.10
IUPAC Name(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1OCC
InChIInChI=1S/C20H20ClNO5/c1-3-26-17-10-5-13(12-18(17)27-4-2)11-16(20(24)25)22-19(23)14-6-8-15(21)9-7-14/h5-12H,3-4H2,1-2H3,(H,22,23)(H,24,25)/p-1/b16-11+
InChIKeyWDKIIIGXBOOQCB-LFIBNONCSA-M
XLogP2.66
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
CID 7481356
(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 6014545
(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2059163
(E)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-(3,4-diethoxyphenyl)prop-2-enoate
CID 7139973
3-(4-chlorophenyl)-2-(3,4-diethoxyphenyl)prop-2-enoic acid
CID 1421836
N-[1-(3,4-diethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 3738627
(E)-2-benzamido-3-[4-[(2-bromophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 6210094
4-[[4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]benzoate
CID 2203320
(E)-2-[(4-chlorobenzoyl)amino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 7137602
4-chloro-N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110340066
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzohydrazide
CID 91679833
2-benzamido-3-[3-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4772715

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate?
The IUPAC name of (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate (CID 7481722) is (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate?
The canonical SMILES for (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate is CCOc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1OCC.
What is the InChIKey of (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate?
The InChIKey is WDKIIIGXBOOQCB-LFIBNONCSA-M. The full InChI is InChI=1S/C20H20ClNO5/c1-3-26-17-10-5-13(12-18(17)27-4-2)11-16(20(24)25)22-19(23)14-6-8-15(21)9-7-14/h5-12H,3-4H2,1-2H3,(H,22,23)(H,24,25)/p-1/b16-11+.
What are the key properties of (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate?
(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate has a molecular weight of 388.83 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7481722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).