2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide

C26H25ClN2O2 — CID 133237193

IUPAC2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O2/c1-2-17-28-26(31)25(22-11-7-4-8-12-22)29(19-21-9-5-3-6-10-21)24(30)18-20-13-15-23(27)16-14-20/h2-16,25H,1,17-19H2,(H,28,31)
InChIKeyHVWDWOQHXBHANS-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.95
Rot. Bonds9

About 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide

2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide (PubChem CID 133237193) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
PubChem CID133237193
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O2/c1-2-17-28-26(31)25(22-11-7-4-8-12-22)29(19-21-9-5-3-6-10-21)24(30)18-20-13-15-23(27)16-14-20/h2-16,25H,1,17-19H2,(H,28,31)
InChIKeyHVWDWOQHXBHANS-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133214951
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide
CID 133237161
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-methyl-2-phenylacetamide
CID 133237735
N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236940
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133236895
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237216
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133237698
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133238314
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238311

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide (CID 133237193) is 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide is C=CCNC(=O)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide?
The InChIKey is HVWDWOQHXBHANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c1-2-17-28-26(31)25(22-11-7-4-8-12-22)29(19-21-9-5-3-6-10-21)24(30)18-20-13-15-23(27)16-14-20/h2-16,25H,1,17-19H2,(H,28,31).
What are the key properties of 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide?
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide has a molecular weight of 432.95 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 133237193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).