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

C20H21N3O4 — CID 34832562

IUPACN-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
SMILESCN(C)c1ccc(C(=O)c2ccccc2C(=O)NCC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O4/c1-22(2)17-10-9-14(11-18(17)23(26)27)19(24)15-5-3-4-6-16(15)20(25)21-12-13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,21,25)
InChIKeyLXDLMUVKVCGIMV-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.03
Rot. Bonds7

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

N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide (PubChem CID 34832562) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
PubChem CID34832562
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
SMILESCN(C)c1ccc(C(=O)c2ccccc2C(=O)NCC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O4/c1-22(2)17-10-9-14(11-18(17)23(26)27)19(24)15-5-3-4-6-16(15)20(25)21-12-13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,21,25)
InChIKeyLXDLMUVKVCGIMV-UHFFFAOYSA-N
XLogP3.03
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.03
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

N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
CID 55547192
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505274
N-(3-aminobutyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide;hydrochloride
CID 119495478
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55546508
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55546853
2-[4-(dimethylamino)-3-nitrobenzoyl]benzoic acid
CID 3391041
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-phenylmethoxybenzamide
CID 32581309
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 55596255
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(thiophen-3-ylmethyl)benzamide
CID 55689206
N-[(2S)-1-aminopropan-2-yl]-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide;hydrochloride
CID 120506662
[2-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]-[4-(dimethylamino)-3-nitrophenyl]methanone
CID 55990474
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86906390

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide (CID 34832562) is N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide is CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
The InChIKey is LXDLMUVKVCGIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-22(2)17-10-9-14(11-18(17)23(26)27)19(24)15-5-3-4-6-16(15)20(25)21-12-13-7-8-13/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,21,25).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide?
N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide is sourced from PubChem (CID 34832562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).