2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide

C27H27ClN2O3 — CID 133213876

IUPAC2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C27H27ClN2O3/c1-2-17-29-27(32)24(18-21-11-5-3-6-12-21)30(19-22-13-7-4-8-14-22)26(31)20-33-25-16-10-9-15-23(25)28/h2-16,24H,1,17-20H2,(H,29,32)
InChIKeyWUHAPYKPHCKARR-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.66
Rot. Bonds11

About 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide

2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 133213876) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
PubChem CID133213876
Molecular FormulaC27H27ClN2O3
Molecular Weight462.98 g/mol
Exact Mass462.17
IUPAC Name2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl
InChIInChI=1S/C27H27ClN2O3/c1-2-17-29-27(32)24(18-21-11-5-3-6-12-21)30(19-22-13-7-4-8-14-22)26(31)20-33-25-16-10-9-15-23(25)28/h2-16,24H,1,17-20H2,(H,29,32)
InChIKeyWUHAPYKPHCKARR-UHFFFAOYSA-N
XLogP4.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenyl-N-prop-2-enylpropanamide
CID 133214311
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-prop-2-enylpropanamide
CID 133214850
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133236895
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 133213881
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213879
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133214391
2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-phenyl-N-prop-2-enylacetamide
CID 133238462
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100689050
2-[[2-(2-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214912
N-benzyl-2-[[2-(2-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133236311
2-[(4-bromophenyl)methyl-[2-(2-chlorophenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132621594
N-butyl-2-[[2-(2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133204390

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide (CID 133213876) is 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is WUHAPYKPHCKARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c1-2-17-29-27(32)24(18-21-11-5-3-6-12-21)30(19-22-13-7-4-8-14-22)26(31)20-33-25-16-10-9-15-23(25)28/h2-16,24H,1,17-20H2,(H,29,32).
What are the key properties of 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide?
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 462.98 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 133213876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).