N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide

C22H18N4O6 — CID 126001886

IUPACN-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H18N4O6/c1-32-17-12-8-15(9-13-17)21(28)24-25-22(29)18-4-2-3-5-19(18)23-20(27)14-6-10-16(11-7-14)26(30)31/h2-13H,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyBEHDPRDJACEARN-UHFFFAOYSA-N
MW434.41 g/mol
LogP2.93
Rot. Bonds6

About N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide

N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide (PubChem CID 126001886) has the molecular formula C22H18N4O6 and a molecular weight of 434.41 g/mol. Its IUPAC name is N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
PubChem CID126001886
Molecular FormulaC22H18N4O6
Molecular Weight434.41 g/mol
Exact Mass434.12
IUPAC NameN-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C22H18N4O6/c1-32-17-12-8-15(9-13-17)21(28)24-25-22(29)18-4-2-3-5-19(18)23-20(27)14-6-10-16(11-7-14)26(30)31/h2-13H,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyBEHDPRDJACEARN-UHFFFAOYSA-N
XLogP2.93
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide
CID 9314825
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
4-nitro-N-[2-[[[(E)-3-phenylprop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 126006391
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800
methyl 2-hydroxy-3-[(4-nitrobenzoyl)amino]benzoate
CID 71425955

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide (CID 126001886) is N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide is COc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
The InChIKey is BEHDPRDJACEARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O6/c1-32-17-12-8-15(9-13-17)21(28)24-25-22(29)18-4-2-3-5-19(18)23-20(27)14-6-10-16(11-7-14)26(30)31/h2-13H,1H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide?
N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide has a molecular weight of 434.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 126001886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).