(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide

C30H30FN3O2 — CID 25309286

IUPAC(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C30H30FN3O2/c31-26-17-9-7-16-25(26)29(30(36)33-22-11-3-1-4-12-22)34(23-13-5-2-6-14-23)28(35)19-21-20-32-27-18-10-8-15-24(21)27/h2,5-10,13-18,20,22,29,32H,1,3-4,11-12,19H2,(H,33,36)/t29-/m1/s1
InChIKeySXIUSZHBXNAYSV-GDLZYMKVSA-N
MW483.59 g/mol
LogP6.07
Rot. Bonds7

About (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide

(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide (PubChem CID 25309286) has the molecular formula C30H30FN3O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
PubChem CID25309286
Molecular FormulaC30H30FN3O2
Molecular Weight483.59 g/mol
Exact Mass483.23
IUPAC Name(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C30H30FN3O2/c31-26-17-9-7-16-25(26)29(30(36)33-22-11-3-1-4-12-22)34(23-13-5-2-6-14-23)28(35)19-21-20-32-27-18-10-8-15-24(21)27/h2,5-10,13-18,20,22,29,32H,1,3-4,11-12,19H2,(H,33,36)/t29-/m1/s1
InChIKeySXIUSZHBXNAYSV-GDLZYMKVSA-N
XLogP6.07
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)acetamide
CID 3190879
(2S)-N-cyclohexyl-2-(4-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
CID 1430249
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
CID 40785913
N-cyclohexyl-2-(2-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(5-methylfuran-2-yl)acetamide
CID 3190945
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide
CID 3190705
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3190745
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 3190799
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-4-ylacetamide
CID 25309103
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide
CID 122607442
(2S)-N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-3,5-dimethoxyanilino)acetamide
CID 98097765
(2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
CID 25309369

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide (CID 25309286) is (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide is O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
The InChIKey is SXIUSZHBXNAYSV-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H30FN3O2/c31-26-17-9-7-16-25(26)29(30(36)33-22-11-3-1-4-12-22)34(23-13-5-2-6-14-23)28(35)19-21-20-32-27-18-10-8-15-24(21)27/h2,5-10,13-18,20,22,29,32H,1,3-4,11-12,19H2,(H,33,36)/t29-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
(2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide has a molecular weight of 483.59 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(2-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide is sourced from PubChem (CID 25309286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).