(1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide

C18H19FN2O2 — CID 69129552

IUPAC(1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCN(Cc1ccc2c(c1)[C@@H](C(N)=O)[C@H](O)C2)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-21(14-6-4-13(19)5-7-14)10-11-2-3-12-9-16(22)17(18(20)23)15(12)8-11/h2-8,16-17,22H,9-10H2,1H3,(H2,20,23)/t16-,17-/m1/s1
InChIKeyLKGPVAMSJKPHKU-IAGOWNOFSA-N
MW314.36 g/mol
LogP1.95
Rot. Bonds4

About (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide

(1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 69129552) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID69129552
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide
SMILESCN(Cc1ccc2c(c1)[C@@H](C(N)=O)[C@H](O)C2)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-21(14-6-4-13(19)5-7-14)10-11-2-3-12-9-16(22)17(18(20)23)15(12)8-11/h2-8,16-17,22H,9-10H2,1H3,(H2,20,23)/t16-,17-/m1/s1
InChIKeyLKGPVAMSJKPHKU-IAGOWNOFSA-N
XLogP1.95
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-6-[(3,5-difluoro-N-methylanilino)methyl]-1-hydroxy-3,4-dihydroquinolin-2-one
CID 68782888
1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528417
2-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]-6-N-methyl-2,3-dihydro-1H-indene-1,6-diamine
CID 69190117
4-[(4-fluoro-N-methylanilino)methyl]pyridine-2-carbothioamide
CID 63883459
N'-(3-amino-2-hydroxy-2,3-dihydro-1H-inden-5-yl)-N-[(4-fluorophenyl)methyl]-N-methylethanimidamide
CID 69223014
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
5-[(4-fluoro-N-methylanilino)methyl]-2-methoxybenzenecarboximidamide
CID 65339992
(3S)-3-amino-1-hydroxy-6-[(N-methylanilino)methyl]-3,4-dihydroquinolin-2-one
CID 59627149
2-chloro-4-[(4-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 62948121
5-[(4-fluoro-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63584169
[3-fluoro-5-[(4-fluoro-N-methylanilino)methyl]phenyl]boronic acid
CID 79710210

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide (CID 69129552) is (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide is CN(Cc1ccc2c(c1)[C@@H](C(N)=O)[C@H](O)C2)c1ccc(F)cc1.
What is the InChIKey of (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is LKGPVAMSJKPHKU-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-21(14-6-4-13(19)5-7-14)10-11-2-3-12-9-16(22)17(18(20)23)15(12)8-11/h2-8,16-17,22H,9-10H2,1H3,(H2,20,23)/t16-,17-/m1/s1.
What are the key properties of (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide?
(1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-6-[(4-fluoro-N-methylanilino)methyl]-2-hydroxy-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 69129552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).