N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide

C19H18FN3O2 — CID 6108928

IUPACN-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccccc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18FN3O2/c1-12(22-23-19(25)16-4-2-3-5-17(16)20)13-8-10-15(11-9-13)21-18(24)14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyPWYQPKYYHWSHFZ-UUYOSTAYSA-N
MW339.37 g/mol
LogP3.33
Rot. Bonds5

About N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide

N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide (PubChem CID 6108928) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
PubChem CID6108928
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccccc1F)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H18FN3O2/c1-12(22-23-19(25)16-4-2-3-5-17(16)20)13-8-10-15(11-9-13)21-18(24)14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,21,24)(H,23,25)/b22-12-
InChIKeyPWYQPKYYHWSHFZ-UUYOSTAYSA-N
XLogP3.33
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 1358379
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4165688
2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6085732
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N-[(Z)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 6178413
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide (CID 6108928) is N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide is C/C(=N/NC(=O)c1ccccc1F)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide?
The InChIKey is PWYQPKYYHWSHFZ-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12(22-23-19(25)16-4-2-3-5-17(16)20)13-8-10-15(11-9-13)21-18(24)14-6-7-14/h2-5,8-11,14H,6-7H2,1H3,(H,21,24)(H,23,25)/b22-12-.
What are the key properties of N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide?
N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide has a molecular weight of 339.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 6108928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).