N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide

C19H16BrN3O4 — CID 25095327

IUPACN-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide
SMILESO=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O4/c20-13-3-5-15(6-4-13)22-19(24)12-17(18-2-1-11-27-18)21-14-7-9-16(10-8-14)23(25)26/h1-11,17,21H,12H2,(H,22,24)
InChIKeyDQWAFACGKPYHJZ-UHFFFAOYSA-N
MW430.26 g/mol
LogP5.13
Rot. Bonds7

About N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide

N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide (PubChem CID 25095327) has the molecular formula C19H16BrN3O4 and a molecular weight of 430.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide
PubChem CID25095327
Molecular FormulaC19H16BrN3O4
Molecular Weight430.26 g/mol
Exact Mass429.03
IUPAC NameN-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide
SMILESO=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O4/c20-13-3-5-15(6-4-13)22-19(24)12-17(18-2-1-11-27-18)21-14-7-9-16(10-8-14)23(25)26/h1-11,17,21H,12H2,(H,22,24)
InChIKeyDQWAFACGKPYHJZ-UHFFFAOYSA-N
XLogP5.13
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.26
LogP ≤ 55.13
H-Bond Donors ≤ 52
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-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
(NZ)-N-[1-(4-chlorophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propylidene]hydroxylamine
CID 25096350
3-[(4-bromophenyl)sulfonylamino]-N-(4-nitrophenyl)-3-phenylpropanamide
CID 50740445
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
(2S)-2-azaniumyl-4-(4-nitroanilino)-4-oxobutanoate
CID 7408380
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
N-(4-nitrophenyl)-3-[4-nitro-3-(trifluoromethyl)anilino]-3-phenylpropanamide
CID 25095580
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-nitrophenyl)urea
CID 42912289
(3R)-1-(4-bromophenyl)-3-(4-methoxyphenyl)-3-(4-nitroanilino)propan-1-one
CID 26748265

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide (CID 25095327) is N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide is O=C(CC(Nc1ccc([N+](=O)[O-])cc1)c1ccco1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide?
The InChIKey is DQWAFACGKPYHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O4/c20-13-3-5-15(6-4-13)22-19(24)12-17(18-2-1-11-27-18)21-14-7-9-16(10-8-14)23(25)26/h1-11,17,21H,12H2,(H,22,24).
What are the key properties of N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide?
N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide has a molecular weight of 430.26 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(furan-2-yl)-3-(4-nitroanilino)propanamide is sourced from PubChem (CID 25095327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).