4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide

C19H19F2N3O4 — CID 130408535

IUPAC4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C(=O)C(=O)NOC2CCCC2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O4/c1-24-10-11(17(25)19(27)23-28-13-4-2-3-5-13)8-16(24)18(26)22-12-6-7-14(20)15(21)9-12/h6-10,13H,2-5H2,1H3,(H,22,26)(H,23,27)
InChIKeyKKBKONRQCDNYTB-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.73
Rot. Bonds6

About 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide

4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 130408535) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID130408535
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C(=O)C(=O)NOC2CCCC2)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2N3O4/c1-24-10-11(17(25)19(27)23-28-13-4-2-3-5-13)8-16(24)18(26)22-12-6-7-14(20)15(21)9-12/h6-10,13H,2-5H2,1H3,(H,22,26)(H,23,27)
InChIKeyKKBKONRQCDNYTB-UHFFFAOYSA-N
XLogP2.73
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-Difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(prop-2-ynylamino)acetyl]pyrrole-2-carboxamide
CID 130408536
4-(2-anilino-2-oxo-acetyl)-N-(3,4-difluorophenyl)-1-methyl-pyrrole-2-carboxamide
CID 130408553
4-[2-(allylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1-methyl-pyrrole-2-carboxamide
CID 130408561
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(2-pyridylmethylamino)acetyl]pyrrole-2-carboxamide
CID 130408571
4-[2-(diethylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1,3,5-trimethyl-pyrrole-2-carboxamide
CID 130408595
N-(3,4-difluorophenyl)-1,3,5-trimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxo-acetyl]pyrrole-2-carboxamide
CID 130408700
4-[2-(benzylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1-methyl-pyrrole-2-carboxamide
CID 130421469
2-ethyl-1-(5-{[4-(2-fluorophenyl)piperazino]carbonyl}-1H-pyrrol-3-yl)-1-butanone
CID 1489184
4-acetyl-N-[4-(azepan-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 8342656
N-(2,6-difluorophenyl)-4-(2-fluorobenzoyl)-1H-pyrrole-2-carboxamide
CID 49798353
4-(2,4-Difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 1473261
4-(2,6-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 1473264

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide (CID 130408535) is 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(C(=O)C(=O)NOC2CCCC2)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is KKBKONRQCDNYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-24-10-11(17(25)19(27)23-28-13-4-2-3-5-13)8-16(24)18(26)22-12-6-7-14(20)15(21)9-12/h6-10,13H,2-5H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide?
4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentyloxyamino)-2-oxoacetyl]-N-(3,4-difluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 130408535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).