N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide

C18H16ClFN2O2 — CID 142083334

IUPACN-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide
SMILESCC/C(=C/F)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-2-12(11-20)17(23)22-16-6-4-3-5-15(16)18(24)21-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H,21,24)(H,22,23)/b12-11-
InChIKeyYYPSOFDULMFJFL-QXMHVHEDSA-N
MW346.79 g/mol
LogP4.79
Rot. Bonds5

About N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide

N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide (PubChem CID 142083334) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide
PubChem CID142083334
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC NameN-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide
SMILESCC/C(=C/F)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClFN2O2/c1-2-12(11-20)17(23)22-16-6-4-3-5-15(16)18(24)21-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H,21,24)(H,22,23)/b12-11-
InChIKeyYYPSOFDULMFJFL-QXMHVHEDSA-N
XLogP4.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
2-[(4-chlorophenyl)carbamoylamino]-N-ethylbenzamide
CID 4949332
N'-[(4-chlorophenyl)methylideneamino]-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]oxamide
CID 5239737
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide
CID 72687525
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide
CID 110615682
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24683894

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide (CID 142083334) is N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide is CC/C(=C/F)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide?
The InChIKey is YYPSOFDULMFJFL-QXMHVHEDSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-2-12(11-20)17(23)22-16-6-4-3-5-15(16)18(24)21-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H,21,24)(H,22,23)/b12-11-.
What are the key properties of N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide has a molecular weight of 346.79 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide is sourced from PubChem (CID 142083334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).