3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide

C26H27ClN4O4 — CID 11202747

IUPAC3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C26H27ClN4O4/c27-20-14-28-23-13-17(7-10-19(20)23)26(34)30-22-4-2-1-3-21(22)29-25(33)16-5-8-18(9-6-16)31-11-12-35-15-24(31)32/h5-10,13-14,21-22,28H,1-4,11-12,15H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1
InChIKeySVZCEVQBBKTFKA-FCHUYYIVSA-N
MW494.98 g/mol
LogP3.66
Rot. Bonds5

About 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide

3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide (PubChem CID 11202747) has the molecular formula C26H27ClN4O4 and a molecular weight of 494.98 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
PubChem CID11202747
Molecular FormulaC26H27ClN4O4
Molecular Weight494.98 g/mol
Exact Mass494.17
IUPAC Name3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C26H27ClN4O4/c27-20-14-28-23-13-17(7-10-19(20)23)26(34)30-22-4-2-1-3-21(22)29-25(33)16-5-8-18(9-6-16)31-11-12-35-15-24(31)32/h5-10,13-14,21-22,28H,1-4,11-12,15H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1
InChIKeySVZCEVQBBKTFKA-FCHUYYIVSA-N
XLogP3.66
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide (CID 11202747) is 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide is O=C(N[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
The InChIKey is SVZCEVQBBKTFKA-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H27ClN4O4/c27-20-14-28-23-13-17(7-10-19(20)23)26(34)30-22-4-2-1-3-21(22)29-25(33)16-5-8-18(9-6-16)31-11-12-35-15-24(31)32/h5-10,13-14,21-22,28H,1-4,11-12,15H2,(H,29,33)(H,30,34)/t21-,22+/m0/s1.
What are the key properties of 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide?
3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide has a molecular weight of 494.98 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 11202747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).