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

C20H15ClF2N4O — CID 153315333

IUPAC(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2Nc1ncccn1
InChIInChI=1S/C20H15ClF2N4O/c21-14-10-11(2-5-15(14)22)26-19(28)13-3-6-16(23)18-12(13)4-7-17(18)27-20-24-8-1-9-25-20/h1-3,5-6,8-10,17H,4,7H2,(H,26,28)(H,24,25,27)/t17-/m0/s1
InChIKeyGZQZLPPJIZTLFX-KRWDZBQOSA-N
MW400.82 g/mol
LogP4.76
Rot. Bonds4

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

(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 153315333) has the molecular formula C20H15ClF2N4O and a molecular weight of 400.82 g/mol. Its IUPAC name is (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID153315333
Molecular FormulaC20H15ClF2N4O
Molecular Weight400.82 g/mol
Exact Mass400.09
IUPAC Name(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2Nc1ncccn1
InChIInChI=1S/C20H15ClF2N4O/c21-14-10-11(2-5-15(14)22)26-19(28)13-3-6-16(23)18-12(13)4-7-17(18)27-20-24-8-1-9-25-20/h1-3,5-6,8-10,17H,4,7H2,(H,26,28)(H,24,25,27)/t17-/m0/s1
InChIKeyGZQZLPPJIZTLFX-KRWDZBQOSA-N
XLogP4.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamic acid;hydrochloride
CID 170305189
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 135337386
N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 153315393
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 142433490
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(2-methoxyacetyl)amino]-2,3-dihydro-1H-indene-4-carboxamide
CID 142433622
N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[[7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2,3-dihydro-1H-indene-4-carboxamide
CID 153315331
(1-methyl-1,2,4-triazol-3-yl)methyl N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 146425392
3-cyanopropyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433563
[(1S)-3-oxocyclopentyl]methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 159868324
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 151604410
tert-butyl-[[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]amino]-oxidosulfanium
CID 174143013
(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride
CID 158330252

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide (CID 153315333) is (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2Nc1ncccn1.
What is the InChIKey of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is GZQZLPPJIZTLFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15ClF2N4O/c21-14-10-11(2-5-15(14)22)26-19(28)13-3-6-16(23)18-12(13)4-7-17(18)27-20-24-8-1-9-25-20/h1-3,5-6,8-10,17H,4,7H2,(H,26,28)(H,24,25,27)/t17-/m0/s1.
What are the key properties of (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide?
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 400.82 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 153315333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).