N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide

C24H21FN4O4 — CID 92619292

IUPACN-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide
SMILESCOc1ccc2oc(C(=O)NCCc3nc(C)ncc3C(=O)Nc3ccccc3F)cc2c1
InChIInChI=1S/C24H21FN4O4/c1-14-27-13-17(23(30)29-20-6-4-3-5-18(20)25)19(28-14)9-10-26-24(31)22-12-15-11-16(32-2)7-8-21(15)33-22/h3-8,11-13H,9-10H2,1-2H3,(H,26,31)(H,29,30)
InChIKeyPSRXGJKEVCTXIL-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.90
Rot. Bonds7

About N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide

N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 92619292) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide
PubChem CID92619292
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC NameN-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide
SMILESCOc1ccc2oc(C(=O)NCCc3nc(C)ncc3C(=O)Nc3ccccc3F)cc2c1
InChIInChI=1S/C24H21FN4O4/c1-14-27-13-17(23(30)29-20-6-4-3-5-18(20)25)19(28-14)9-10-26-24(31)22-12-15-11-16(32-2)7-8-21(15)33-22/h3-8,11-13H,9-10H2,1-2H3,(H,26,31)(H,29,30)
InChIKeyPSRXGJKEVCTXIL-UHFFFAOYSA-N
XLogP3.90
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide
CID 95812385
4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
CID 23766700
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
N-(2-fluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 92619288
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-(4-chloro-2-hydroxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194096

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide (CID 92619292) is N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide is COc1ccc2oc(C(=O)NCCc3nc(C)ncc3C(=O)Nc3ccccc3F)cc2c1.
What is the InChIKey of N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is PSRXGJKEVCTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-14-27-13-17(23(30)29-20-6-4-3-5-18(20)25)19(28-14)9-10-26-24(31)22-12-15-11-16(32-2)7-8-21(15)33-22/h3-8,11-13H,9-10H2,1-2H3,(H,26,31)(H,29,30).
What are the key properties of N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide?
N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92619292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).