5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide

C23H26ClN3O — CID 91404604

IUPAC5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CNCC2CCCCC2)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H26ClN3O/c24-19-8-11-21-18(12-19)13-22(27-21)23(28)26-20-9-6-17(7-10-20)15-25-14-16-4-2-1-3-5-16/h6-13,16,25,27H,1-5,14-15H2,(H,26,28)
InChIKeyLSBODZBCNDRQGD-UHFFFAOYSA-N
MW395.93 g/mol
LogP5.74
Rot. Bonds6

About 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide

5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 91404604) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
PubChem CID91404604
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(CNCC2CCCCC2)cc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H26ClN3O/c24-19-8-11-21-18(12-19)13-22(27-21)23(28)26-20-9-6-17(7-10-20)15-25-14-16-4-2-1-3-5-16/h6-13,16,25,27H,1-5,14-15H2,(H,26,28)
InChIKeyLSBODZBCNDRQGD-UHFFFAOYSA-N
XLogP5.74
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]methyl-dimethyl-(oxolan-2-ylmethyl)azanium iodide
CID 118914152
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
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5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
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CID 134002786
5-chloro-N-[4-(2-morpholin-4-ylethyl)phenyl]-1H-indole-2-carboxamide
CID 55977270
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
CID 67974683
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide (CID 91404604) is 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(CNCC2CCCCC2)cc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is LSBODZBCNDRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c24-19-8-11-21-18(12-19)13-22(27-21)23(28)26-20-9-6-17(7-10-20)15-25-14-16-4-2-1-3-5-16/h6-13,16,25,27H,1-5,14-15H2,(H,26,28).
What are the key properties of 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 5.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(cyclohexylmethylamino)methyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91404604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).