2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide

C21H21ClN2O2 — CID 55805274

IUPAC2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c22-19-12-17(8-9-18(19)21(26)24-16-6-7-16)23-20(25)11-13-4-5-14-2-1-3-15(14)10-13/h4-5,8-10,12,16H,1-3,6-7,11H2,(H,23,25)(H,24,26)
InChIKeyWTGMOWCJSCGJHH-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.90
Rot. Bonds5

About 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide

2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide (PubChem CID 55805274) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
PubChem CID55805274
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide
SMILESO=C(Cc1ccc2c(c1)CCC2)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c22-19-12-17(8-9-18(19)21(26)24-16-6-7-16)23-20(25)11-13-4-5-14-2-1-3-15(14)10-13/h4-5,8-10,12,16H,1-3,6-7,11H2,(H,23,25)(H,24,26)
InChIKeyWTGMOWCJSCGJHH-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55674540
N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431377
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
2-chloro-N-cyclopropyl-4-[[2-(4-iodophenoxy)acetyl]amino]benzamide
CID 55804856
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 3380579
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55778666
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55763362
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]butanamide
CID 55946746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide (CID 55805274) is 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide is O=C(Cc1ccc2c(c1)CCC2)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide?
The InChIKey is WTGMOWCJSCGJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-19-12-17(8-9-18(19)21(26)24-16-6-7-16)23-20(25)11-13-4-5-14-2-1-3-15(14)10-13/h4-5,8-10,12,16H,1-3,6-7,11H2,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide?
2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide has a molecular weight of 368.86 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55805274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).