N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide

C23H25N3O4 — CID 55547192

IUPACN-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
SMILESCN(C)c1ccc(C(=O)c2ccccc2C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H25N3O4/c1-25(2)19-12-11-16(13-20(19)26(29)30)22(27)17-5-3-4-6-18(17)23(28)24-21(14-7-8-14)15-9-10-15/h3-6,11-15,21H,7-10H2,1-2H3,(H,24,28)
InChIKeyRJAUIDPYBCCSDY-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.81
Rot. Bonds8

About N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide

N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide (PubChem CID 55547192) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
PubChem CID55547192
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
SMILESCN(C)c1ccc(C(=O)c2ccccc2C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C23H25N3O4/c1-25(2)19-12-11-16(13-20(19)26(29)30)22(27)17-5-3-4-6-18(17)23(28)24-21(14-7-8-14)15-9-10-15/h3-6,11-15,21H,7-10H2,1-2H3,(H,24,28)
InChIKeyRJAUIDPYBCCSDY-UHFFFAOYSA-N
XLogP3.81
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55546853
N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
CID 34832562
N-[(2S)-1-aminopropan-2-yl]-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide;hydrochloride
CID 120506662
2-[4-(dimethylamino)-3-nitrobenzoyl]benzoic acid
CID 3391041
N-(3-aminobutyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide;hydrochloride
CID 119495478
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505274
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-phenylmethoxybenzamide
CID 32581309
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]benzamide
CID 55869932
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(thiophen-3-ylmethyl)benzamide
CID 55689206
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55546508
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 52561481
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 55596255

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide (CID 55547192) is N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide is CN(C)c1ccc(C(=O)c2ccccc2C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
The InChIKey is RJAUIDPYBCCSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-25(2)19-12-11-16(13-20(19)26(29)30)22(27)17-5-3-4-6-18(17)23(28)24-21(14-7-8-14)15-9-10-15/h3-6,11-15,21H,7-10H2,1-2H3,(H,24,28).
What are the key properties of N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide is sourced from PubChem (CID 55547192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).