2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide

C14H11ClFN5O — CID 59441653

IUPAC2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide
SMILESCn1ccc2c(Nc3cc(F)ccc3C(N)=O)nc(Cl)nc21
InChIInChI=1S/C14H11ClFN5O/c1-21-5-4-9-12(19-14(15)20-13(9)21)18-10-6-7(16)2-3-8(10)11(17)22/h2-6H,1H3,(H2,17,22)(H,18,19,20)
InChIKeyNFQKXGYABHADGR-UHFFFAOYSA-N
MW319.73 g/mol
LogP2.60
Rot. Bonds3

About 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide

2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide (PubChem CID 59441653) has the molecular formula C14H11ClFN5O and a molecular weight of 319.73 g/mol. Its IUPAC name is 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide
PubChem CID59441653
Molecular FormulaC14H11ClFN5O
Molecular Weight319.73 g/mol
Exact Mass319.06
IUPAC Name2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide
SMILESCn1ccc2c(Nc3cc(F)ccc3C(N)=O)nc(Cl)nc21
InChIInChI=1S/C14H11ClFN5O/c1-21-5-4-9-12(19-14(15)20-13(9)21)18-10-6-7(16)2-3-8(10)11(17)22/h2-6H,1H3,(H2,17,22)(H,18,19,20)
InChIKeyNFQKXGYABHADGR-UHFFFAOYSA-N
XLogP2.60
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.73
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Elbimilast
CID 9803446
Y-39983
CID 11507964
Acalisib
CID 11618268
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
Stk16-IN-1
CID 58525066
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
CID 118473558
1-[3-(4-Amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 67219570
2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 153307444
JAK1 inhibitor 38a
CID 155757100

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide?
The IUPAC name of 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide (CID 59441653) is 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide.
What is the SMILES notation for 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide?
The canonical SMILES for 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide is Cn1ccc2c(Nc3cc(F)ccc3C(N)=O)nc(Cl)nc21.
What is the InChIKey of 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide?
The InChIKey is NFQKXGYABHADGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5O/c1-21-5-4-9-12(19-14(15)20-13(9)21)18-10-6-7(16)2-3-8(10)11(17)22/h2-6H,1H3,(H2,17,22)(H,18,19,20).
What are the key properties of 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide?
2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide has a molecular weight of 319.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-fluorobenzamide is sourced from PubChem (CID 59441653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).