(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide

C18H16ClF2N3O2 — CID 135337072

IUPAC(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCNC(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21
InChIInChI=1S/C18H16ClF2N3O2/c1-22-18(26)24-15-7-4-10-11(3-6-14(21)16(10)15)17(25)23-9-2-5-13(20)12(19)8-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,23,25)(H2,22,24,26)/t15-/m0/s1
InChIKeyWNXDZWZDMOJLDG-HNNXBMFYSA-N
MW379.79 g/mol
LogP3.79
Rot. Bonds3

About (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide

(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 135337072) has the molecular formula C18H16ClF2N3O2 and a molecular weight of 379.79 g/mol. Its IUPAC name is (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID135337072
Molecular FormulaC18H16ClF2N3O2
Molecular Weight379.79 g/mol
Exact Mass379.09
IUPAC Name(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCNC(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21
InChIInChI=1S/C18H16ClF2N3O2/c1-22-18(26)24-15-7-4-10-11(3-6-14(21)16(10)15)17(25)23-9-2-5-13(20)12(19)8-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,23,25)(H2,22,24,26)/t15-/m0/s1
InChIKeyWNXDZWZDMOJLDG-HNNXBMFYSA-N
XLogP3.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide (CID 135337072) is (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide is CNC(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.
What is the InChIKey of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is WNXDZWZDMOJLDG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2/c1-22-18(26)24-15-7-4-10-11(3-6-14(21)16(10)15)17(25)23-9-2-5-13(20)12(19)8-9/h2-3,5-6,8,15H,4,7H2,1H3,(H,23,25)(H2,22,24,26)/t15-/m0/s1.
What are the key properties of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 379.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(methylcarbamoylamino)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 135337072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).