N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide

C23H21ClN2O2 — CID 154875779

IUPACN-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H21ClN2O2/c24-14-22(28)26-23-19-11-4-2-7-16(19)12-20(23)25-21(27)13-17-9-5-8-15-6-1-3-10-18(15)17/h1-11,20,23H,12-14H2,(H,25,27)(H,26,28)/t20-,23-/m1/s1
InChIKeyHCPLOEJJKITFTH-NFBKMPQASA-N
MW392.89 g/mol
LogP3.52
Rot. Bonds5

About N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide

N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 154875779) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID154875779
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H21ClN2O2/c24-14-22(28)26-23-19-11-4-2-7-16(19)12-20(23)25-21(27)13-17-9-5-8-15-6-1-3-10-18(15)17/h1-11,20,23H,12-14H2,(H,25,27)(H,26,28)/t20-,23-/m1/s1
InChIKeyHCPLOEJJKITFTH-NFBKMPQASA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide 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-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-1-benzothiophene-3-carboxamide
CID 154875780
(1R,2S)-1-(naphthalen-1-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 49463280
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-(cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 154875791
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-cyclopentyl-1,3-oxazole-4-carboxamide
CID 167966362
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
CID 93452521
1-butyl-N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-6-oxopyridazine-3-carboxamide
CID 154875707
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
CID 114302053

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide (CID 154875779) is N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide is O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is HCPLOEJJKITFTH-NFBKMPQASA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-14-22(28)26-23-19-11-4-2-7-16(19)12-20(23)25-21(27)13-17-9-5-8-15-6-1-3-10-18(15)17/h1-11,20,23H,12-14H2,(H,25,27)(H,26,28)/t20-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide?
N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 392.89 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 154875779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).