N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide

C19H20N4O4 — CID 42747482

IUPACN-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NC1CC1
InChIInChI=1S/C19H20N4O4/c1-22(2)17-10-7-14(11-16(17)19(25)20-13-5-6-13)21-18(24)12-3-8-15(9-4-12)23(26)27/h3-4,7-11,13H,5-6H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyFBSNCFTYUHIZTR-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.81
Rot. Bonds6

About N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide

N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 42747482) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
PubChem CID42747482
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
SMILESCN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NC1CC1
InChIInChI=1S/C19H20N4O4/c1-22(2)17-10-7-14(11-16(17)19(25)20-13-5-6-13)21-18(24)12-3-8-15(9-4-12)23(26)27/h3-4,7-11,13H,5-6H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyFBSNCFTYUHIZTR-UHFFFAOYSA-N
XLogP2.81
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(4-hydroxycyclohexyl)-5-nitrobenzamide
CID 78767627
2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
CID 3938181
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
N-[3-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]pyridine-4-carboxamide
CID 39677239
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate
CID 55467414
N-[1-[2-(dimethylamino)-5-nitrobenzoyl]piperidin-4-yl]-4-fluorobenzamide
CID 33010352
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(dimethylamino)-5-nitrobenzamide
CID 55518296
2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)amino]benzamide
CID 17188414

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide (CID 42747482) is N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide is CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is FBSNCFTYUHIZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-22(2)17-10-7-14(11-16(17)19(25)20-13-5-6-13)21-18(24)12-3-8-15(9-4-12)23(26)27/h3-4,7-11,13H,5-6H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide?
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 42747482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).