N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide

C15H11BrN2O3 — CID 4049212

IUPACN-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Br
InChIInChI=1S/C15H11BrN2O3/c16-12-6-2-3-7-13(12)17-15(19)10-9-11-5-1-4-8-14(11)18(20)21/h1-10H,(H,17,19)
InChIKeyMJTKVTAQFCPVDQ-UHFFFAOYSA-N
MW347.17 g/mol
LogP4.01
Rot. Bonds4

About N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide

N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 4049212) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID4049212
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC NameN-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Br
InChIInChI=1S/C15H11BrN2O3/c16-12-6-2-3-7-13(12)17-15(19)10-9-11-5-1-4-8-14(11)18(20)21/h1-10H,(H,17,19)
InChIKeyMJTKVTAQFCPVDQ-UHFFFAOYSA-N
XLogP4.01
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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

N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102820535
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073
(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
CID 166201662
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 51158962
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 4049212) is N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide is O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is MJTKVTAQFCPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-12-6-2-3-7-13(12)17-15(19)10-9-11-5-1-4-8-14(11)18(20)21/h1-10H,(H,17,19).
What are the key properties of N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide?
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 347.17 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 4049212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).