cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide

C18H24FN3O — CID 166276508

IUPACcis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1[nH]c2cc(F)ccc2c1CCNC(=O)[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C18H24FN3O/c1-11-15(16-6-5-13(19)10-17(16)22-11)7-8-21-18(23)12-3-2-4-14(20)9-12/h5-6,10,12,14,22H,2-4,7-9,20H2,1H3,(H,21,23)/t12-,14+/m1/s1
InChIKeyAXQQOCWDACWZAV-OCCSQVGLSA-N
MW317.41 g/mol
LogP2.79
Rot. Bonds4

About cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide

cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 166276508) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID166276508
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Namecis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1[nH]c2cc(F)ccc2c1CCNC(=O)[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C18H24FN3O/c1-11-15(16-6-5-13(19)10-17(16)22-11)7-8-21-18(23)12-3-2-4-14(20)9-12/h5-6,10,12,14,22H,2-4,7-9,20H2,1H3,(H,21,23)/t12-,14+/m1/s1
InChIKeyAXQQOCWDACWZAV-OCCSQVGLSA-N
XLogP2.79
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
CID 119782980
(1S,3R,4R)-3-amino-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155498993
3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119742372
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
acetic acid;(1S,3R,4R)-4-amino-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide
CID 155971564
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 42534943
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide (CID 166276508) is cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide is Cc1[nH]c2cc(F)ccc2c1CCNC(=O)[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is AXQQOCWDACWZAV-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-11-15(16-6-5-13(19)10-17(16)22-11)7-8-21-18(23)12-3-2-4-14(20)9-12/h5-6,10,12,14,22H,2-4,7-9,20H2,1H3,(H,21,23)/t12-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide?
cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166276508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).