N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide

C23H17N3O2 — CID 58870305

IUPACN-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide
SMILESN/C(=N\C(=O)c1ccc2ccccc2c1)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H17N3O2/c24-23(25-21(27)19-11-9-15-5-1-3-7-17(15)13-19)26-22(28)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H3,24,25,26,27,28)
InChIKeyMFCJIEIGERRXNO-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.88
Rot. Bonds2

About N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide

N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide (PubChem CID 58870305) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide
PubChem CID58870305
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC NameN-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide
SMILESN/C(=N\C(=O)c1ccc2ccccc2c1)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H17N3O2/c24-23(25-21(27)19-11-9-15-5-1-3-7-17(15)13-19)26-22(28)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H3,24,25,26,27,28)
InChIKeyMFCJIEIGERRXNO-UHFFFAOYSA-N
XLogP3.88
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-en-2-yl]naphthalene-2-carboxamide
CID 173494224
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-(2-hydroxybenzoyl)naphthalene-2-carboxamide
CID 57386028
ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
CID 167435011
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(diaminomethylidene)naphthalene-2-carboxamide;N-(diaminomethylidene)-3-phenylprop-2-enamide
CID 174530124
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[2-[(2-aminoacetyl)amino]acetyl]naphthalene-2-carboxamide;hydrobromide
CID 132936300
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
N-oxotetracene-2-carboxamide
CID 22400129

Frequently Asked Questions

What is the IUPAC name of N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide?
The IUPAC name of N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide (CID 58870305) is N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide is N/C(=N\C(=O)c1ccc2ccccc2c1)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide?
The InChIKey is MFCJIEIGERRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c24-23(25-21(27)19-11-9-15-5-1-3-7-17(15)13-19)26-22(28)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H3,24,25,26,27,28).
What are the key properties of N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide?
N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(naphthalene-2-carbonyl)carbamimidoyl]naphthalene-2-carboxamide is sourced from PubChem (CID 58870305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).