2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide

C24H21ClN2O3 — CID 17195477

IUPAC2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O3/c1-2-30-20-14-12-19(13-15-20)26-24(29)21-5-3-4-6-22(21)27-23(28)16-9-17-7-10-18(25)11-8-17/h3-16H,2H2,1H3,(H,26,29)(H,27,28)/b16-9+
InChIKeyGNPBUKSPPKQCTN-CXUHLZMHSA-N
MW420.90 g/mol
LogP5.64
Rot. Bonds7

About 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide

2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 17195477) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID17195477
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O3/c1-2-30-20-14-12-19(13-15-20)26-24(29)21-5-3-4-6-22(21)27-23(28)16-9-17-7-10-18(25)11-8-17/h3-16H,2H2,1H3,(H,26,29)(H,27,28)/b16-9+
InChIKeyGNPBUKSPPKQCTN-CXUHLZMHSA-N
XLogP5.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.64
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

N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
CID 4941568
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 6234822
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 26254416
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 17195477) is 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is GNPBUKSPPKQCTN-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-2-30-20-14-12-19(13-15-20)26-24(29)21-5-3-4-6-22(21)27-23(28)16-9-17-7-10-18(25)11-8-17/h3-16H,2H2,1H3,(H,26,29)(H,27,28)/b16-9+.
What are the key properties of 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide?
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 420.90 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 17195477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).