N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide

C18H18Cl2N4O2 — CID 4256811

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N4O2/c1-2-9-21-18(26)23-15-7-4-12(5-8-15)17(25)24-22-11-13-3-6-14(19)10-16(13)20/h3-8,10-11H,2,9H2,1H3,(H,24,25)(H2,21,23,26)
InChIKeyLHQKFEHDVIFCBC-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.29
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide

N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide (PubChem CID 4256811) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide
PubChem CID4256811
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H18Cl2N4O2/c1-2-9-21-18(26)23-15-7-4-12(5-8-15)17(25)24-22-11-13-3-6-14(19)10-16(13)20/h3-8,10-11H,2,9H2,1H3,(H,24,25)(H2,21,23,26)
InChIKeyLHQKFEHDVIFCBC-UHFFFAOYSA-N
XLogP4.29
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.29
H-Bond Donors ≤ 53
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'}

Analyze N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
4-[(4-bromobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836337
N-[(2,4-dichlorophenyl)methylideneamino]-3,4,5-triethoxybenzamide
CID 3460491
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
2,4-dichloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173612
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide (CID 4256811) is N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide is CCCNC(=O)Nc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide?
The InChIKey is LHQKFEHDVIFCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-2-9-21-18(26)23-15-7-4-12(5-8-15)17(25)24-22-11-13-3-6-14(19)10-16(13)20/h3-8,10-11H,2,9H2,1H3,(H,24,25)(H2,21,23,26).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide?
N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide has a molecular weight of 393.27 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide is sourced from PubChem (CID 4256811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).