N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide

C21H24N2O2 — CID 109051597

IUPACN-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C21H24N2O2/c1-4-14(2)22-20(24)17-9-7-10-18(13-17)21(25)23-15(3)12-16-8-5-6-11-19(16)23/h5-11,13-15H,4,12H2,1-3H3,(H,22,24)
InChIKeyYQXXUFMVMFMMMT-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds4

About N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide

N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide (PubChem CID 109051597) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
PubChem CID109051597
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C21H24N2O2/c1-4-14(2)22-20(24)17-9-7-10-18(13-17)21(25)23-15(3)12-16-8-5-6-11-19(16)23/h5-11,13-15H,4,12H2,1-3H3,(H,22,24)
InChIKeyYQXXUFMVMFMMMT-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109054414
N-[(2-fluorophenyl)methyl]-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109054646
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053349
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
N-(2-cyanophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057792
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
[4-(butan-2-ylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109203595

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The IUPAC name of N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide (CID 109051597) is N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide.
What is the SMILES notation for N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The canonical SMILES for N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide is CCC(C)NC(=O)c1cccc(C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The InChIKey is YQXXUFMVMFMMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-14(2)22-20(24)17-9-7-10-18(13-17)21(25)23-15(3)12-16-8-5-6-11-19(16)23/h5-11,13-15H,4,12H2,1-3H3,(H,22,24).
What are the key properties of N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide is sourced from PubChem (CID 109051597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).