N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide

C24H26ClN3O3 — CID 143006254

IUPACN-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide
SMILESCCCC(=O)N(CCO)[C@@H]1c2ccccc2CC1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C24H26ClN3O3/c1-2-5-22(30)28(10-11-29)23-18-7-4-3-6-15(18)13-20(23)27-24(31)21-14-16-12-17(25)8-9-19(16)26-21/h3-4,6-9,12,14,20,23,26,29H,2,5,10-11,13H2,1H3,(H,27,31)/t20?,23-/m1/s1
InChIKeyVXCXFUSCMFTDLO-GWQXNCQPSA-N
MW439.94 g/mol
LogP3.84
Rot. Bonds7

About N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide

N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 143006254) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide
PubChem CID143006254
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide
SMILESCCCC(=O)N(CCO)[C@@H]1c2ccccc2CC1NC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C24H26ClN3O3/c1-2-5-22(30)28(10-11-29)23-18-7-4-3-6-15(18)13-20(23)27-24(31)21-14-16-12-17(25)8-9-19(16)26-21/h3-4,6-9,12,14,20,23,26,29H,2,5,10-11,13H2,1H3,(H,27,31)/t20?,23-/m1/s1
InChIKeyVXCXFUSCMFTDLO-GWQXNCQPSA-N
XLogP3.84
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1S)-2-[[acetyl-[(1S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]amino]methyl]cyclopropane-1-carboxylate
CID 24886756
(2R)-2-[(1R,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 68930958
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
2-chloro-N-[(1R,2R)-1-[2,3-dihydroxypropanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 58757495
5-chloro-N-[(1R,4R)-3-oxo-1-propan-2-yl-1,2,4,5-tetrahydro-2-benzazepin-4-yl]-1H-indole-2-carboxamide
CID 163415310
5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11510762
5-chloro-N-[(2R,4R)-4-(methylcarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11625122
5-fluoro-N-[(1R)-1-propyl-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 143271417
5-chloro-N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)-1H-indole-2-carboxamide
CID 10089456
2-[(1R,2R)-2-[(5-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 46891446
5-chloro-N-[(2R,4S)-4-[2-(dimethylamino)-2-oxoethyl]-4-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]-1H-indole-2-carboxamide
CID 11633261
5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 10237241

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide (CID 143006254) is N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide is CCCC(=O)N(CCO)[C@@H]1c2ccccc2CC1NC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is VXCXFUSCMFTDLO-GWQXNCQPSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-2-5-22(30)28(10-11-29)23-18-7-4-3-6-15(18)13-20(23)27-24(31)21-14-16-12-17(25)8-9-19(16)26-21/h3-4,6-9,12,14,20,23,26,29H,2,5,10-11,13H2,1H3,(H,27,31)/t20?,23-/m1/s1.
What are the key properties of N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide?
N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 3.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[butanoyl(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-2-yl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 143006254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).