N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide

C24H18N2O4 — CID 24807044

IUPACN-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H18N2O4/c27-24(20-11-10-18-8-4-5-9-19(18)14-20)25-22-13-12-21(26(28)29)15-23(22)30-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,27)
InChIKeyWLFWXICIKWNJNQ-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.58
Rot. Bonds6

About N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide

N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide (PubChem CID 24807044) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
PubChem CID24807044
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H18N2O4/c27-24(20-11-10-18-8-4-5-9-19(18)14-20)25-22-13-12-21(26(28)29)15-23(22)30-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,27)
InChIKeyWLFWXICIKWNJNQ-UHFFFAOYSA-N
XLogP5.58
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
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

N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
N-(2-methyl-4-nitrophenyl)-4-phenylmethoxybenzamide
CID 2916153
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498978
N-(4-nitro-2-phenylmethoxyphenyl)ethanesulfonamide
CID 91441095
4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-phenylmethoxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propan-2-yloxybenzamide;4-[[3-(2-naphthalen-2-ylethoxy)-4-nitrobenzoyl]amino]-3-propoxybenzamide
CID 159019503
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
4-[(2-formyl-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 8534889
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
3-methoxy-4-[[3-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethoxy]-4-nitrobenzoyl]amino]-N-[4-(naphthalen-2-ylmethylcarbamoyl)-2-phenylmethoxyphenyl]benzamide
CID 177102021
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide (CID 24807044) is N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is WLFWXICIKWNJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-24(20-11-10-18-8-4-5-9-19(18)14-20)25-22-13-12-21(26(28)29)15-23(22)30-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,27).
What are the key properties of N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide?
N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 24807044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).