N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide

C18H16ClN3O2 — CID 920979

IUPACN-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16ClN3O2/c19-16-4-2-1-3-14(16)11-20-22-18(24)13-7-9-15(10-8-13)21-17(23)12-5-6-12/h1-4,7-12H,5-6H2,(H,21,23)(H,22,24)
InChIKeyIHSNJAVHPAVSDN-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide

N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 920979) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID920979
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NN=Cc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16ClN3O2/c19-16-4-2-1-3-14(16)11-20-22-18(24)13-7-9-15(10-8-13)21-17(23)12-5-6-12/h1-4,7-12H,5-6H2,(H,21,23)(H,22,24)
InChIKeyIHSNJAVHPAVSDN-UHFFFAOYSA-N
XLogP3.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.45
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

4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(E)-(2-chlorophenyl)methylideneamino]-4-[(2-fluorophenyl)carbamoylamino]benzamide
CID 134097026
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234587
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide (CID 920979) is N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide is O=C(NN=Cc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is IHSNJAVHPAVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-16-4-2-1-3-14(16)11-20-22-18(24)13-7-9-15(10-8-13)21-17(23)12-5-6-12/h1-4,7-12H,5-6H2,(H,21,23)(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 341.80 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 920979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).