N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide

C15H11Br3N4O3 — CID 5015504

IUPACN-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
SMILESO=C(CNc1cc(Br)c(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11Br3N4O3/c16-11-5-13(18)14(6-12(11)17)19-8-15(23)21-20-7-9-1-3-10(4-2-9)22(24)25/h1-7,19H,8H2,(H,21,23)
InChIKeyMXUXPPMEQDEEAP-UHFFFAOYSA-N
MW534.99 g/mol
LogP4.44
Rot. Bonds6

About N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide

N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide (PubChem CID 5015504) has the molecular formula C15H11Br3N4O3 and a molecular weight of 534.99 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
PubChem CID5015504
Molecular FormulaC15H11Br3N4O3
Molecular Weight534.99 g/mol
Exact Mass531.84
IUPAC NameN-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
SMILESO=C(CNc1cc(Br)c(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11Br3N4O3/c16-11-5-13(18)14(6-12(11)17)19-8-15(23)21-20-7-9-1-3-10(4-2-9)22(24)25/h1-7,19H,8H2,(H,21,23)
InChIKeyMXUXPPMEQDEEAP-UHFFFAOYSA-N
XLogP4.44
TPSA96.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.99
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide
CID 135420016
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
2-anilino-N-[(Z)-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126389209
2-(4-bromoanilino)-N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide
CID 126352231
2-(4-chloroanilino)-N-[(Z)-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126371268
2-(2-bromo-4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 6875539
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 6279022

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The IUPAC name of N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide (CID 5015504) is N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide.
What is the SMILES notation for N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The canonical SMILES for N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is O=C(CNc1cc(Br)c(Br)cc1Br)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
The InChIKey is MXUXPPMEQDEEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3N4O3/c16-11-5-13(18)14(6-12(11)17)19-8-15(23)21-20-7-9-1-3-10(4-2-9)22(24)25/h1-7,19H,8H2,(H,21,23).
What are the key properties of N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide?
N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide has a molecular weight of 534.99 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methylideneamino]-2-(2,4,5-tribromoanilino)acetamide is sourced from PubChem (CID 5015504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).