1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid

C23H24N2O4 — CID 120691741

IUPAC1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CC(C(=O)O)c3ccccc32)c1)C1CCCCC1
InChIInChI=1S/C23H24N2O4/c26-21(15-7-2-1-3-8-15)24-17-10-6-9-16(13-17)22(27)25-14-19(23(28)29)18-11-4-5-12-20(18)25/h4-6,9-13,15,19H,1-3,7-8,14H2,(H,24,26)(H,28,29)
InChIKeyONFXSFIQXMPHTN-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.03
Rot. Bonds4

About 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid

1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691741) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691741
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)N2CC(C(=O)O)c3ccccc32)c1)C1CCCCC1
InChIInChI=1S/C23H24N2O4/c26-21(15-7-2-1-3-8-15)24-17-10-6-9-16(13-17)22(27)25-14-19(23(28)29)18-11-4-5-12-20(18)25/h4-6,9-13,15,19H,1-3,7-8,14H2,(H,24,26)(H,28,29)
InChIKeyONFXSFIQXMPHTN-UHFFFAOYSA-N
XLogP4.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691291
(3R)-1-[3-(methoxymethyl)benzoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609772
N-[3-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
CID 110746231
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771
3-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 75429563
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55648219
3-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551532
N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 110930987
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
N-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 55667826

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691741) is 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid is O=C(Nc1cccc(C(=O)N2CC(C(=O)O)c3ccccc32)c1)C1CCCCC1.
What is the InChIKey of 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is ONFXSFIQXMPHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(15-7-2-1-3-8-15)24-17-10-6-9-16(13-17)22(27)25-14-19(23(28)29)18-11-4-5-12-20(18)25/h4-6,9-13,15,19H,1-3,7-8,14H2,(H,24,26)(H,28,29).
What are the key properties of 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid?
1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexanecarbonylamino)benzoyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).