3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide

C23H23ClN2O3 — CID 55495044

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)N(Cc1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3/c1-16-5-11-20(12-6-16)26(15-21-4-3-13-29-21)23(28)14-22(25-17(2)27)18-7-9-19(24)10-8-18/h3-13,22H,14-15H2,1-2H3,(H,25,27)
InChIKeyJENFBXWNWZBPTC-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.04
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide (PubChem CID 55495044) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide
PubChem CID55495044
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)N(Cc1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3/c1-16-5-11-20(12-6-16)26(15-21-4-3-13-29-21)23(28)14-22(25-17(2)27)18-7-9-19(24)10-8-18/h3-13,22H,14-15H2,1-2H3,(H,25,27)
InChIKeyJENFBXWNWZBPTC-UHFFFAOYSA-N
XLogP5.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(furan-2-ylmethyl)-N,3-bis(4-methylphenyl)propanamide
CID 43040064
2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 1167420
3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 134012020
2-amino-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 39364356
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-3-phenylpropanamide
CID 78798556
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 35181974
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-(3-chlorophenyl)-1-(4-chlorophenyl)-1-(furan-2-ylmethyl)urea
CID 3721578
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide (CID 55495044) is 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)N(Cc1ccco1)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide?
The InChIKey is JENFBXWNWZBPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-16-5-11-20(12-6-16)26(15-21-4-3-13-29-21)23(28)14-22(25-17(2)27)18-7-9-19(24)10-8-18/h3-13,22H,14-15H2,1-2H3,(H,25,27).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide has a molecular weight of 410.90 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 55495044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).