2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C24H28FN3O2 — CID 42770579

IUPAC2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C24H28FN3O2/c1-17(2)28(18(3)29)16-24(30)27(15-19-8-10-21(25)11-9-19)13-12-20-14-26-23-7-5-4-6-22(20)23/h4-11,14,17,26H,12-13,15-16H2,1-3H3
InChIKeyXKGVLXFQONFBBG-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.14
Rot. Bonds8

About 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 42770579) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID42770579
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(C)C
InChIInChI=1S/C24H28FN3O2/c1-17(2)28(18(3)29)16-24(30)27(15-19-8-10-21(25)11-9-19)13-12-20-14-26-23-7-5-4-6-22(20)23/h4-11,14,17,26H,12-13,15-16H2,1-3H3
InChIKeyXKGVLXFQONFBBG-UHFFFAOYSA-N
XLogP4.14
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 4086438
3-chloro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 42770581
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4123268
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 4620268
2-[(3-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5003466
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42772532
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,3-dimethyl-N-propan-2-ylbutanamide
CID 42772340
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 4069034
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4581832
N-benzyl-2-[(3-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772229
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 4054032

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 42770579) is 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is XKGVLXFQONFBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-17(2)28(18(3)29)16-24(30)27(15-19-8-10-21(25)11-9-19)13-12-20-14-26-23-7-5-4-6-22(20)23/h4-11,14,17,26H,12-13,15-16H2,1-3H3.
What are the key properties of 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 42770579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).