N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

C22H23FN2O3 — CID 137441255

IUPACN-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCOC1c2ccccc2CC1NC(=O)[C@H](NC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3/c1-28-20-17-5-3-2-4-15(17)12-18(20)24-22(27)19(25-21(26)14-6-7-14)13-8-10-16(23)11-9-13/h2-5,8-11,14,18-20H,6-7,12H2,1H3,(H,24,27)(H,25,26)/t18?,19-,20?/m1/s1
InChIKeyXULCTCMGOHJGNE-IOJLRTSASA-N
MW382.44 g/mol
LogP2.82
Rot. Bonds6

About N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 137441255) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID137441255
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCOC1c2ccccc2CC1NC(=O)[C@H](NC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O3/c1-28-20-17-5-3-2-4-15(17)12-18(20)24-22(27)19(25-21(26)14-6-7-14)13-8-10-16(23)11-9-13/h2-5,8-11,14,18-20H,6-7,12H2,1H3,(H,24,27)(H,25,26)/t18?,19-,20?/m1/s1
InChIKeyXULCTCMGOHJGNE-IOJLRTSASA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (CID 137441255) is N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is COC1c2ccccc2CC1NC(=O)[C@H](NC(=O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is XULCTCMGOHJGNE-IOJLRTSASA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-28-20-17-5-3-2-4-15(17)12-18(20)24-22(27)19(25-21(26)14-6-7-14)13-8-10-16(23)11-9-13/h2-5,8-11,14,18-20H,6-7,12H2,1H3,(H,24,27)(H,25,26)/t18?,19-,20?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-[(1-methoxy-2,3-dihydro-1H-inden-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 137441255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).