N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide

C24H17N3O4 — CID 34636674

IUPACN-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C24H17N3O4/c28-23(25-18-11-13-20(14-12-18)27(30)31)17-7-3-8-19(15-17)26-24(29)22-10-4-6-16-5-1-2-9-21(16)22/h1-15H,(H,25,28)(H,26,29)
InChIKeyMQAZQHLUXABTLQ-UHFFFAOYSA-N
MW411.42 g/mol
LogP5.25
Rot. Bonds5

About N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide

N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide (PubChem CID 34636674) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
PubChem CID34636674
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC NameN-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C24H17N3O4/c28-23(25-18-11-13-20(14-12-18)27(30)31)17-7-3-8-19(15-17)26-24(29)22-10-4-6-16-5-1-2-9-21(16)22/h1-15H,(H,25,28)(H,26,29)
InChIKeyMQAZQHLUXABTLQ-UHFFFAOYSA-N
XLogP5.25
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(4-nitrophenyl)benzamide
CID 127116027
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[(4-nitrobenzoyl)amino]benzamide
CID 135567648
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
2-(naphthalene-1-carbonylamino)-4-nitrobenzoate
CID 6961900
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide (CID 34636674) is N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is MQAZQHLUXABTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c28-23(25-18-11-13-20(14-12-18)27(30)31)17-7-3-8-19(15-17)26-24(29)22-10-4-6-16-5-1-2-9-21(16)22/h1-15H,(H,25,28)(H,26,29).
What are the key properties of N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide?
N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-nitrophenyl)carbamoyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 34636674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).