N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide

C21H23ClN2O2 — CID 55946746

IUPACN-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-8-10-19(11-9-18)24-20(25)5-2-12-23-21(26)14-15-6-7-16-3-1-4-17(16)13-15/h6-11,13H,1-5,12,14H2,(H,23,26)(H,24,25)
InChIKeyBHCVCBJXIAKFKI-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.91
Rot. Bonds7

About N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide

N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide (PubChem CID 55946746) 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-5-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
PubChem CID55946746
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
SMILESO=C(Cc1ccc2c(c1)CCC2)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c22-18-8-10-19(11-9-18)24-20(25)5-2-12-23-21(26)14-15-6-7-16-3-1-4-17(16)13-15/h6-11,13H,1-5,12,14H2,(H,23,26)(H,24,25)
InChIKeyBHCVCBJXIAKFKI-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide 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

2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
ethyl 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanoate
CID 60645837
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17225278
2-(4-chlorophenyl)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101563
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
N-(4-chlorophenyl)-4-[[2-(methylamino)acetyl]amino]butanamide;hydrochloride
CID 119738705
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide (CID 55946746) is N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide is O=C(Cc1ccc2c(c1)CCC2)NCCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide?
The InChIKey is BHCVCBJXIAKFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-8-10-19(11-9-18)24-20(25)5-2-12-23-21(26)14-15-6-7-16-3-1-4-17(16)13-15/h6-11,13H,1-5,12,14H2,(H,23,26)(H,24,25).
What are the key properties of N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide?
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide has a molecular weight of 370.88 g/mol, XLogP of 3.91, 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-5-yl)acetyl]amino]butanamide is sourced from PubChem (CID 55946746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).