N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide

C28H31ClN2O3 — CID 162283280

IUPACN-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide
SMILESCc1ccc2c(c1)c(CC(=O)CCCNC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H31ClN2O3/c1-18-9-14-26-25(16-18)24(19(2)31(26)28(34)21-10-12-22(29)13-11-21)17-23(32)8-5-15-30-27(33)20-6-3-4-7-20/h9-14,16,20H,3-8,15,17H2,1-2H3,(H,30,33)
InChIKeyDXQROGBNLDHIHY-UHFFFAOYSA-N
MW479.02 g/mol
LogP5.80
Rot. Bonds8

About N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide

N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide (PubChem CID 162283280) has the molecular formula C28H31ClN2O3 and a molecular weight of 479.02 g/mol. Its IUPAC name is N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide
PubChem CID162283280
Molecular FormulaC28H31ClN2O3
Molecular Weight479.02 g/mol
Exact Mass478.20
IUPAC NameN-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide
SMILESCc1ccc2c(c1)c(CC(=O)CCCNC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C28H31ClN2O3/c1-18-9-14-26-25(16-18)24(19(2)31(26)28(34)21-10-12-22(29)13-11-21)17-23(32)8-5-15-30-27(33)20-6-3-4-7-20/h9-14,16,20H,3-8,15,17H2,1-2H3,(H,30,33)
InChIKeyDXQROGBNLDHIHY-UHFFFAOYSA-N
XLogP5.80
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.02
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

carbanide;N-[[4-[4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-3-oxobutyl]phenyl]methyl]cyclopentanecarboxamide;N-[7-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-6-oxoheptyl]cyclopentanecarboxamide;N-[2-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[11-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-10-oxoundecyl]cyclopentanecarboxamide;methanol;methanone;rhenium
CID 162286421
4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-1-cyclopentylbutan-1-one
CID 162271446
(3-benzyl-2,5-dimethylindol-1-yl)-(4-chlorophenyl)methanone
CID 11211027
propan-2-yl 2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]acetate
CID 21136124
2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-N-[4-oxo-4-(2-oxochromen-3-yl)butyl]acetamide
CID 158515561
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
N-(4-acetamidobutyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 59342785
7-[[2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]amino]-N,N-diethylheptanamide
CID 67563519
(2Z,4E,6E,8E)-N-[5-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-4-oxopentyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 158058008
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide;ethane
CID 142077225
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 17482058

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide (CID 162283280) is N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide is Cc1ccc2c(c1)c(CC(=O)CCCNC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide?
The InChIKey is DXQROGBNLDHIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O3/c1-18-9-14-26-25(16-18)24(19(2)31(26)28(34)21-10-12-22(29)13-11-21)17-23(32)8-5-15-30-27(33)20-6-3-4-7-20/h9-14,16,20H,3-8,15,17H2,1-2H3,(H,30,33).
What are the key properties of N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide?
N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide has a molecular weight of 479.02 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentyl]cyclopentanecarboxamide is sourced from PubChem (CID 162283280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).