N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide

C25H29ClN4O3 — CID 177382640

IUPACN-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(Cl)c4)CCCCC3)c2c1
InChIInChI=1S/C25H29ClN4O3/c1-33-20-8-9-22-21(15-20)17(16-28-22)10-13-27-24(32)30-25(11-3-2-4-12-25)23(31)29-19-7-5-6-18(26)14-19/h5-9,14-16,28H,2-4,10-13H2,1H3,(H,29,31)(H2,27,30,32)
InChIKeySFACAEWPTRJVTF-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.01
Rot. Bonds7

About N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide

N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide (PubChem CID 177382640) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
PubChem CID177382640
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC NameN-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(Cl)c4)CCCCC3)c2c1
InChIInChI=1S/C25H29ClN4O3/c1-33-20-8-9-22-21(15-20)17(16-28-22)10-13-27-24(32)30-25(11-3-2-4-12-25)23(31)29-19-7-5-6-18(26)14-19/h5-9,14-16,28H,2-4,10-13H2,1H3,(H,29,31)(H2,27,30,32)
InChIKeySFACAEWPTRJVTF-UHFFFAOYSA-N
XLogP5.01
TPSA95.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide (CID 177382640) is N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide is COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(Cl)c4)CCCCC3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide?
The InChIKey is SFACAEWPTRJVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-33-20-8-9-22-21(15-20)17(16-28-22)10-13-27-24(32)30-25(11-3-2-4-12-25)23(31)29-19-7-5-6-18(26)14-19/h5-9,14-16,28H,2-4,10-13H2,1H3,(H,29,31)(H2,27,30,32).
What are the key properties of N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide?
N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide has a molecular weight of 468.99 g/mol, XLogP of 5.01, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 177382640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).