2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide

C23H24ClN3O2 — CID 143631835

IUPAC2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\C=C)C(NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O2/c1-3-8-18(4-2)22(19-11-13-20(24)14-12-19)27-21(28)16-26-23(29)25-15-17-9-6-5-7-10-17/h3-14,22H,1-2,15-16H2,(H,27,28)(H2,25,26,29)/b18-8+
InChIKeyCFFSTTCMIAPWGY-QGMBQPNBSA-N
MW409.92 g/mol
LogP4.30
Rot. Bonds9

About 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide

2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide (PubChem CID 143631835) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide
PubChem CID143631835
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\C=C)C(NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O2/c1-3-8-18(4-2)22(19-11-13-20(24)14-12-19)27-21(28)16-26-23(29)25-15-17-9-6-5-7-10-17/h3-14,22H,1-2,15-16H2,(H,27,28)(H2,25,26,29)/b18-8+
InChIKeyCFFSTTCMIAPWGY-QGMBQPNBSA-N
XLogP4.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(benzylcarbamoylamino)acetyl]amino]-2-phenylacetamide
CID 41433363
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
[[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]amino] thiohypoiodite
CID 144935216
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
1-benzyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]urea
CID 46555188
2-(benzhydrylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 8545779
2-(benzylcarbamoylamino)-N-(2-methylbutan-2-yl)acetamide
CID 46554777
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 136516477
2-[(3-chlorophenyl)methylcarbamoylamino]-N-phenylacetamide
CID 110304605
N-[2-[1-(4-chlorophenyl)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 17450177

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide (CID 143631835) is 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide is C=C/C=C(\C=C)C(NC(=O)CNC(=O)NCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide?
The InChIKey is CFFSTTCMIAPWGY-QGMBQPNBSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-3-8-18(4-2)22(19-11-13-20(24)14-12-19)27-21(28)16-26-23(29)25-15-17-9-6-5-7-10-17/h3-14,22H,1-2,15-16H2,(H,27,28)(H2,25,26,29)/b18-8+.
What are the key properties of 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide?
2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide has a molecular weight of 409.92 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-[(2E)-1-(4-chlorophenyl)-2-ethenylpenta-2,4-dienyl]acetamide is sourced from PubChem (CID 143631835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).