N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide

C19H16N4O2 — CID 920978

IUPACN-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
SMILESN#Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C19H16N4O2/c20-11-13-1-3-14(4-2-13)12-21-23-19(25)16-7-9-17(10-8-16)22-18(24)15-5-6-15/h1-4,7-10,12,15H,5-6H2,(H,22,24)(H,23,25)
InChIKeyUQKIKBXJUDFILN-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.67
Rot. Bonds5

About N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide

N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 920978) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
PubChem CID920978
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
SMILESN#Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C19H16N4O2/c20-11-13-1-3-14(4-2-13)12-21-23-19(25)16-7-9-17(10-8-16)22-18(24)15-5-6-15/h1-4,7-10,12,15H,5-6H2,(H,22,24)(H,23,25)
InChIKeyUQKIKBXJUDFILN-UHFFFAOYSA-N
XLogP2.67
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
4-(cyclopropanecarbonylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5432749
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
4-(cyclohexanecarbonylamino)-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 4509992
N-[4-[[(4-cyanophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376598
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
4-(cyclopropanecarbonylamino)-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 920980
4-(cyclopropanecarbonylamino)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 4506667
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
4-(cyclopropanecarbonylamino)-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6875716
4-(cyclohexanecarbonylamino)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5432764

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide (CID 920978) is N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide is N#Cc1ccc(C=NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is UQKIKBXJUDFILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-11-13-1-3-14(4-2-13)12-21-23-19(25)16-7-9-17(10-8-16)22-18(24)15-5-6-15/h1-4,7-10,12,15H,5-6H2,(H,22,24)(H,23,25).
What are the key properties of N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide?
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 332.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 920978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).