N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide

C21H23ClN2O2 — CID 86957312

IUPACN-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide
SMILESO=C(CC1CCc2ccccc21)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-17-9-11-18(12-10-17)24-20(25)6-3-13-23-21(26)14-16-8-7-15-4-1-2-5-19(15)16/h1-2,4-5,9-12,16H,3,6-8,13-14H2,(H,23,26)(H,24,25)
InChIKeyBIQCKTJDZMJDFY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.30
Rot. Bonds7

About N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide

N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide (PubChem CID 86957312) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide
PubChem CID86957312
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide
SMILESO=C(CC1CCc2ccccc21)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-17-9-11-18(12-10-17)24-20(25)6-3-13-23-21(26)14-16-8-7-15-4-1-2-5-19(15)16/h1-2,4-5,9-12,16H,3,6-8,13-14H2,(H,23,26)(H,24,25)
InChIKeyBIQCKTJDZMJDFY-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide (CID 86957312) is N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide is O=C(CC1CCc2ccccc21)NCCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide?
The InChIKey is BIQCKTJDZMJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-17-9-11-18(12-10-17)24-20(25)6-3-13-23-21(26)14-16-8-7-15-4-1-2-5-19(15)16/h1-2,4-5,9-12,16H,3,6-8,13-14H2,(H,23,26)(H,24,25).
What are the key properties of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide?
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide has a molecular weight of 370.88 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide is sourced from PubChem (CID 86957312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).