2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

C19H20ClN3O3 — CID 136516477

IUPAC2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CNC(=O)NCc1ccc(Cl)cc1)NC1c2ccccc2CC1O
InChIInChI=1S/C19H20ClN3O3/c20-14-7-5-12(6-8-14)10-21-19(26)22-11-17(25)23-18-15-4-2-1-3-13(15)9-16(18)24/h1-8,16,18,24H,9-11H2,(H,23,25)(H2,21,22,26)
InChIKeyTVSCBIZJUIMJMA-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.91
Rot. Bonds5

About 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide

2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 136516477) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID136516477
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CNC(=O)NCc1ccc(Cl)cc1)NC1c2ccccc2CC1O
InChIInChI=1S/C19H20ClN3O3/c20-14-7-5-12(6-8-14)10-21-19(26)22-11-17(25)23-18-15-4-2-1-3-13(15)9-16(18)24/h1-8,16,18,24H,9-11H2,(H,23,25)(H2,21,22,26)
InChIKeyTVSCBIZJUIMJMA-UHFFFAOYSA-N
XLogP1.91
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)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-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
CID 111104314
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904230
2-(2-chloro-4-hydroxyphenyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 75518781
N-(cyclopropylmethyl)-2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]acetamide
CID 136580821
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
2-(3-fluorophenyl)-N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-oxoethyl]acetamide
CID 136512279
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
3,5-difluoro-N-[2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]benzamide
CID 96526018
3,5-difluoro-N-[2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]benzamide
CID 96526023

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide (CID 136516477) is 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is O=C(CNC(=O)NCc1ccc(Cl)cc1)NC1c2ccccc2CC1O.
What is the InChIKey of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is TVSCBIZJUIMJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-14-7-5-12(6-8-14)10-21-19(26)22-11-17(25)23-18-15-4-2-1-3-13(15)9-16(18)24/h1-8,16,18,24H,9-11H2,(H,23,25)(H2,21,22,26).
What are the key properties of 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide?
2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 373.84 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylcarbamoylamino]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 136516477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).