N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide

C25H20FN5O — CID 164589962

IUPACN-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1
InChIInChI=1S/C25H20FN5O/c26-20-5-1-3-16(11-20)19-14-28-25(29-15-19)31-21-6-2-4-18(13-21)24(32)30-22-7-8-23-17(12-22)9-10-27-23/h1-8,11-15,27H,9-10H2,(H,30,32)(H,28,29,31)
InChIKeyOGMFFSGBVDWFLW-UHFFFAOYSA-N
MW425.47 g/mol
LogP5.25
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide

N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide (PubChem CID 164589962) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
PubChem CID164589962
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
SMILESO=C(Nc1ccc2c(c1)CCN2)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1
InChIInChI=1S/C25H20FN5O/c26-20-5-1-3-16(11-20)19-14-28-25(29-15-19)31-21-6-2-4-18(13-21)24(32)30-22-7-8-23-17(12-22)9-10-27-23/h1-8,11-15,27H,9-10H2,(H,30,32)(H,28,29,31)
InChIKeyOGMFFSGBVDWFLW-UHFFFAOYSA-N
XLogP5.25
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 164589476
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 50826567
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzoic acid
CID 154791909
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 50826628
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(1-phenylcyclopropyl)benzamide
CID 164589652
N-(3-chloro-4-methoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826642
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
N-(3-fluorophenyl)-3-(4-pyridin-3-ylanilino)benzamide
CID 164589782
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
CID 63252893

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide (CID 164589962) is N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide is O=C(Nc1ccc2c(c1)CCN2)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is OGMFFSGBVDWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c26-20-5-1-3-16(11-20)19-14-28-25(29-15-19)31-21-6-2-4-18(13-21)24(32)30-22-7-8-23-17(12-22)9-10-27-23/h1-8,11-15,27H,9-10H2,(H,30,32)(H,28,29,31).
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide?
N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 425.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 164589962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).