methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate

C25H23ClN2O3 — CID 59943754

IUPACmethyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCOC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cc(C)ccc3-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C25H23ClN2O3/c1-15-3-10-22(16-4-7-19(26)8-5-16)23(11-15)24(29)27-20-9-6-17-12-21(14-18(17)13-20)28-25(30)31-2/h3-11,13,21H,12,14H2,1-2H3,(H,27,29)(H,28,30)/t21-/m1/s1
InChIKeyZJDZHOFRZSXJSY-OAQYLSRUSA-N
MW434.92 g/mol
LogP5.39
Rot. Bonds4

About methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate

methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate (PubChem CID 59943754) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
PubChem CID59943754
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Namemethyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
SMILESCOC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cc(C)ccc3-c3ccc(Cl)cc3)cc2C1
InChIInChI=1S/C25H23ClN2O3/c1-15-3-10-22(16-4-7-19(26)8-5-16)23(11-15)24(29)27-20-9-6-17-12-21(14-18(17)13-20)28-25(30)31-2/h3-11,13,21H,12,14H2,1-2H3,(H,27,29)(H,28,30)/t21-/m1/s1
InChIKeyZJDZHOFRZSXJSY-OAQYLSRUSA-N
XLogP5.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
CID 59943857
5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943897
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
N-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943885
N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
CID 101154632
N-[2-(ethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943858
N-[2-(propylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943847
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
[(2S)-5-[[3-methyl-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 162577425
N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide
CID 101154629

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate (CID 59943754) is methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate is COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cc(C)ccc3-c3ccc(Cl)cc3)cc2C1.
What is the InChIKey of methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?
The InChIKey is ZJDZHOFRZSXJSY-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-15-3-10-22(16-4-7-19(26)8-5-16)23(11-15)24(29)27-20-9-6-17-12-21(14-18(17)13-20)28-25(30)31-2/h3-11,13,21H,12,14H2,1-2H3,(H,27,29)(H,28,30)/t21-/m1/s1.
What are the key properties of methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate?
methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate has a molecular weight of 434.92 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate is sourced from PubChem (CID 59943754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).