N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide

C18H16Cl2N4O2 — CID 6265792

IUPACN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide
SMILESC=CCNC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H16Cl2N4O2/c1-2-9-21-18(26)23-14-6-4-13(5-7-14)17(25)24-22-11-12-3-8-15(19)16(20)10-12/h2-8,10-11H,1,9H2,(H,24,25)(H2,21,23,26)/b22-11-
InChIKeyDECMLVFNXASXQW-JJFYIABZSA-N
MW391.26 g/mol
LogP4.06
Rot. Bonds6

About N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide (PubChem CID 6265792) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide
PubChem CID6265792
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide
SMILESC=CCNC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H16Cl2N4O2/c1-2-9-21-18(26)23-14-6-4-13(5-7-14)17(25)24-22-11-12-3-8-15(19)16(20)10-12/h2-8,10-11H,1,9H2,(H,24,25)(H2,21,23,26)/b22-11-
InChIKeyDECMLVFNXASXQW-JJFYIABZSA-N
XLogP4.06
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
N'-[(E)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 6877114
4-acetamido-N-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5126030
4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540187
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide
CID 4256811
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzamide
CID 169450178
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
4-[(3,4-dichlorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058531
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide?
The IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide (CID 6265792) is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide?
The canonical SMILES for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide is C=CCNC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide?
The InChIKey is DECMLVFNXASXQW-JJFYIABZSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-2-9-21-18(26)23-14-6-4-13(5-7-14)17(25)24-22-11-12-3-8-15(19)16(20)10-12/h2-8,10-11H,1,9H2,(H,24,25)(H2,21,23,26)/b22-11-.
What are the key properties of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide?
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide has a molecular weight of 391.26 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-(prop-2-enylcarbamoylamino)benzamide is sourced from PubChem (CID 6265792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).