propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate

C21H21FN2O3 — CID 56551042

IUPACpropan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C21H21FN2O3/c1-14(2)27-20(25)12-23-21(26)19-11-15-7-4-6-10-18(15)24(19)13-16-8-3-5-9-17(16)22/h3-11,14H,12-13H2,1-2H3,(H,23,26)
InChIKeyHYEQFGCNCUPDCJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.51
Rot. Bonds6

About propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate

propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate (PubChem CID 56551042) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate
PubChem CID56551042
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Namepropan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C21H21FN2O3/c1-14(2)27-20(25)12-23-21(26)19-11-15-7-4-6-10-18(15)24(19)13-16-8-3-5-9-17(16)22/h3-11,14H,12-13H2,1-2H3,(H,23,26)
InChIKeyHYEQFGCNCUPDCJ-UHFFFAOYSA-N
XLogP3.51
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]-N-pyridin-4-ylindole-2-carboxamide
CID 23573402
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
CID 52528847
1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801026
N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039574
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxamide
CID 86852407
N-[4-(dimethylamino)phenyl]-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide
CID 23573447
4-[(3,5-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039181
(4-benzylsulfonylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
CID 55774194
1-[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251843
2-bromo-4-[(2-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848748

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate (CID 56551042) is propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate is CC(C)OC(=O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate?
The InChIKey is HYEQFGCNCUPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-14(2)27-20(25)12-23-21(26)19-11-15-7-4-6-10-18(15)24(19)13-16-8-3-5-9-17(16)22/h3-11,14H,12-13H2,1-2H3,(H,23,26).
What are the key properties of propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate?
propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate has a molecular weight of 368.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[1-[(2-fluorophenyl)methyl]indole-2-carbonyl]amino]acetate is sourced from PubChem (CID 56551042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).