N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide

C17H19FN4O2 — CID 9026928

IUPACN-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H19FN4O2/c1-12(20-21-17(23)15-3-2-6-19-15)13-4-5-16(14(18)11-13)22-7-9-24-10-8-22/h2-6,11,19H,7-10H2,1H3,(H,21,23)/b20-12-
InChIKeyJJZPNYNRRQJEFC-NDENLUEZSA-N
MW330.36 g/mol
LogP2.14
Rot. Bonds4

About N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide

N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide (PubChem CID 9026928) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
PubChem CID9026928
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
SMILESC/C(=N/NC(=O)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H19FN4O2/c1-12(20-21-17(23)15-3-2-6-19-15)13-4-5-16(14(18)11-13)22-7-9-24-10-8-22/h2-6,11,19H,7-10H2,1H3,(H,21,23)/b20-12-
InChIKeyJJZPNYNRRQJEFC-NDENLUEZSA-N
XLogP2.14
TPSA69.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 9174902
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026979
1-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9257630
4-fluoro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126132059
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026580
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015567
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
3-fluoro-N-[1-(2-fluorophenoxy)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 138998358

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide (CID 9026928) is N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide is C/C(=N/NC(=O)c1ccc[nH]1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide?
The InChIKey is JJZPNYNRRQJEFC-NDENLUEZSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12(20-21-17(23)15-3-2-6-19-15)13-4-5-16(14(18)11-13)22-7-9-24-10-8-22/h2-6,11,19H,7-10H2,1H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide?
N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9026928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).