N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide

C30H27NO2 — CID 91173289

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide
SMILESCOc1cccc(CN(C(=O)c2ccccc2-c2ccccc2)C2Cc3ccccc3C2)c1
InChIInChI=1S/C30H27NO2/c1-33-27-15-9-10-22(18-27)21-31(26-19-24-13-5-6-14-25(24)20-26)30(32)29-17-8-7-16-28(29)23-11-3-2-4-12-23/h2-18,26H,19-21H2,1H3
InChIKeyCIJMCHGTZHJQAN-UHFFFAOYSA-N
MW433.55 g/mol
LogP6.17
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide

N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide (PubChem CID 91173289) has the molecular formula C30H27NO2 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide
PubChem CID91173289
Molecular FormulaC30H27NO2
Molecular Weight433.55 g/mol
Exact Mass433.20
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide
SMILESCOc1cccc(CN(C(=O)c2ccccc2-c2ccccc2)C2Cc3ccccc3C2)c1
InChIInChI=1S/C30H27NO2/c1-33-27-15-9-10-22(18-27)21-31(26-19-24-13-5-6-14-25(24)20-26)30(32)29-17-8-7-16-28(29)23-11-3-2-4-12-23/h2-18,26H,19-21H2,1H3
InChIKeyCIJMCHGTZHJQAN-UHFFFAOYSA-N
XLogP6.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-phenylbenzamide
CID 69326258
N-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]benzamide
CID 10127237
N-(2,3-dihydro-1H-inden-2-yl)-N-[(4-methoxyphenyl)methyl]-2-methyl-6-phenylbenzamide
CID 22566943
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-N-[(3-methylphenyl)methyl]-6-phenylbenzamide
CID 22567021
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide
CID 10194938
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-methoxyphenyl)methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 29133222
2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762993
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
CID 70775085
[3-[[cyclopropyl-(2-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 46110901
1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643442
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643441

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide (CID 91173289) is N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide is COc1cccc(CN(C(=O)c2ccccc2-c2ccccc2)C2Cc3ccccc3C2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide?
The InChIKey is CIJMCHGTZHJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO2/c1-33-27-15-9-10-22(18-27)21-31(26-19-24-13-5-6-14-25(24)20-26)30(32)29-17-8-7-16-28(29)23-11-3-2-4-12-23/h2-18,26H,19-21H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide has a molecular weight of 433.55 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide is sourced from PubChem (CID 91173289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).