N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide

C19H20N4O4 — CID 55511519

IUPACN-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide
SMILESCC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-12(18(24)22-16-3-2-4-17(11-16)23(26)27)20-14-7-5-13(6-8-14)19(25)21-15-9-10-15/h2-8,11-12,15,20H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyUXUSUZLXSPLGNZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.93
Rot. Bonds7

About N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide

N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide (PubChem CID 55511519) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide
PubChem CID55511519
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide
SMILESCC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-12(18(24)22-16-3-2-4-17(11-16)23(26)27)20-14-7-5-13(6-8-14)19(25)21-15-9-10-15/h2-8,11-12,15,20H,9-10H2,1H3,(H,21,25)(H,22,24)
InChIKeyUXUSUZLXSPLGNZ-UHFFFAOYSA-N
XLogP2.93
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
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-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
(2S)-N-naphthalen-2-yl-2-(3-nitroanilino)propanamide
CID 9345649
(2R)-2-(1,3-benzodioxol-5-ylamino)-N-(3-nitrophenyl)propanamide
CID 2466995
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
CID 134032594
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
3-methyl-N-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]benzamide
CID 9040600
(2R)-N-(2,5-dimethylphenyl)-2-(3-nitroanilino)propanamide
CID 9274186
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(3-nitrophenyl)propanamide
CID 25473815
5-methyl-N-[1-[1-(3-nitroanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448351
4-chloro-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60582964
(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide (CID 55511519) is N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide is CC(Nc1ccc(C(=O)NC2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide?
The InChIKey is UXUSUZLXSPLGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(18(24)22-16-3-2-4-17(11-16)23(26)27)20-14-7-5-13(6-8-14)19(25)21-15-9-10-15/h2-8,11-12,15,20H,9-10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide?
N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide has a molecular weight of 368.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(3-nitroanilino)-1-oxopropan-2-yl]amino]benzamide is sourced from PubChem (CID 55511519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).