4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide

C21H21N3O2 — CID 5419553

IUPAC4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCCc2ccccc21)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O2/c25-20(15-8-9-15)22-17-12-10-16(11-13-17)21(26)24-23-19-7-3-5-14-4-1-2-6-18(14)19/h1-2,4,6,10-13,15H,3,5,7-9H2,(H,22,25)(H,24,26)/b23-19+
InChIKeyKHZPNLCFIAUJSE-FCDQGJHFSA-N
MW347.42 g/mol
LogP3.51
Rot. Bonds4

About 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide

4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide (PubChem CID 5419553) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
PubChem CID5419553
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCCc2ccccc21)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O2/c25-20(15-8-9-15)22-17-12-10-16(11-13-17)21(26)24-23-19-7-3-5-14-4-1-2-6-18(14)19/h1-2,4,6,10-13,15H,3,5,7-9H2,(H,22,25)(H,24,26)/b23-19+
InChIKeyKHZPNLCFIAUJSE-FCDQGJHFSA-N
XLogP3.51
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.51
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

N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
4-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6520422
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
4-[(2E)-2-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)hydrazinyl]benzoic acid
CID 9013002
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130
4-(cyclopropanecarbonylamino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 17234587
4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4510435
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide (CID 5419553) is 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide is O=C(N/N=C1\CCCc2ccccc21)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
The InChIKey is KHZPNLCFIAUJSE-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(15-8-9-15)22-17-12-10-16(11-13-17)21(26)24-23-19-7-3-5-14-4-1-2-6-18(14)19/h1-2,4,6,10-13,15H,3,5,7-9H2,(H,22,25)(H,24,26)/b23-19+.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide is sourced from PubChem (CID 5419553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).