N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

C22H18ClN3O2 — CID 3376596

IUPACN-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-15-5-2-3-8-20(15)22(28)25-19-11-9-17(10-12-19)21(27)26-24-14-16-6-4-7-18(23)13-16/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyVYFLQICJJMHTCI-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.66
Rot. Bonds5

About N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide

N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (PubChem CID 3376596) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
PubChem CID3376596
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18ClN3O2/c1-15-5-2-3-8-20(15)22(28)25-19-11-9-17(10-12-19)21(27)26-24-14-16-6-4-7-18(23)13-16/h2-14H,1H3,(H,25,28)(H,26,27)
InChIKeyVYFLQICJJMHTCI-UHFFFAOYSA-N
XLogP4.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.66
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-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592
N-[4-[[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135560246
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
N-[4-[(furan-2-ylmethylideneamino)carbamoyl]phenyl]-2-methylbenzamide
CID 690188
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 76666429
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 19645144

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide (CID 3376596) is N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)NN=Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
The InChIKey is VYFLQICJJMHTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-15-5-2-3-8-20(15)22(28)25-19-11-9-17(10-12-19)21(27)26-24-14-16-6-4-7-18(23)13-16/h2-14H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide?
N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide has a molecular weight of 391.86 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 3376596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).