2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C29H28ClFN4O2 — CID 46122001

IUPAC2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN(C(=O)Nc1ccc(Cl)cc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1
InChIInChI=1S/C29H28ClFN4O2/c30-22-7-11-24(12-8-22)33-29(37)35(25-13-14-25)19-28(36)34(18-20-5-9-23(31)10-6-20)16-15-21-17-32-27-4-2-1-3-26(21)27/h1-12,17,25,32H,13-16,18-19H2,(H,33,37)
InChIKeyJFFAKSGTODIXAF-UHFFFAOYSA-N
MW519.02 g/mol
LogP6.23
Rot. Bonds9

About 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 46122001) has the molecular formula C29H28ClFN4O2 and a molecular weight of 519.02 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID46122001
Molecular FormulaC29H28ClFN4O2
Molecular Weight519.02 g/mol
Exact Mass518.19
IUPAC Name2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN(C(=O)Nc1ccc(Cl)cc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1
InChIInChI=1S/C29H28ClFN4O2/c30-22-7-11-24(12-8-22)33-29(37)35(25-13-14-25)19-28(36)34(18-20-5-9-23(31)10-6-20)16-15-21-17-32-27-4-2-1-3-26(21)27/h1-12,17,25,32H,13-16,18-19H2,(H,33,37)
InChIKeyJFFAKSGTODIXAF-UHFFFAOYSA-N
XLogP6.23
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.02
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

2-[(3-chlorophenyl)carbamoyl-cyclopropylamino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 5116020
N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4131063
2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 4574808
N-cyclopropyl-4-fluoro-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 3278421
4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4075256
2-[cyclopropyl-[(2-ethylphenyl)carbamoyl]amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42771081
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-hexylbenzamide
CID 42770597
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542
2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42771070
N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[3-methoxypropyl(phenylcarbamoyl)amino]acetamide
CID 4122876
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 42772544
N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-nitrophenyl)carbamoyl-propylamino]acetamide
CID 3256886

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 46122001) is 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN(C(=O)Nc1ccc(Cl)cc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is JFFAKSGTODIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClFN4O2/c30-22-7-11-24(12-8-22)33-29(37)35(25-13-14-25)19-28(36)34(18-20-5-9-23(31)10-6-20)16-15-21-17-32-27-4-2-1-3-26(21)27/h1-12,17,25,32H,13-16,18-19H2,(H,33,37).
What are the key properties of 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 519.02 g/mol, XLogP of 6.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoyl-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 46122001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).