N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide

C15H17FN2O3 — CID 71882748

IUPACN-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C15H17FN2O3/c1-10(2)17(13-6-7-13)15(19)8-4-11-3-5-12(16)9-14(11)18(20)21/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyUMUZTBCGHGUTEW-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.15
Rot. Bonds5

About N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide

N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 71882748) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide
PubChem CID71882748
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)N(C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C15H17FN2O3/c1-10(2)17(13-6-7-13)15(19)8-4-11-3-5-12(16)9-14(11)18(20)21/h3-5,8-10,13H,6-7H2,1-2H3
InChIKeyUMUZTBCGHGUTEW-UHFFFAOYSA-N
XLogP3.15
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
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

3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 103599089
N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 72687651
1-[3-(4-fluoro-2-nitrophenyl)prop-2-enoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103599105
2-[cyclopropyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 122067083
N-[(2-ethoxyphenyl)methyl]-3-(4-fluoro-2-nitrophenyl)-N-methylprop-2-enamide
CID 103599139
(E)-3-(4-fluoro-2-nitrophenyl)-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]prop-2-en-1-one
CID 95616198
(E)-N-cyclohexyl-N-methyl-3-(2-nitrophenyl)prop-2-enamide
CID 18102009
(E)-3-(4-nitrophenyl)-N-propan-2-yl-N-pyrrolidin-3-ylprop-2-enamide
CID 82177155
3-(4-fluoro-2-nitrophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 111105291
N-cyclohexyl-4-fluoro-3-nitro-N-propan-2-ylbenzamide
CID 58376199
methyl 2-[(E)-3-(4-fluoro-2-nitrophenyl)prop-2-enoyl]oxy-5-methylbenzoate
CID 86890065
4-fluoro-N-[2-[3-(4-fluoro-2-nitrophenyl)prop-2-enoylamino]ethyl]benzamide
CID 103599047

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide (CID 71882748) is N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide is CC(C)N(C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is UMUZTBCGHGUTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-10(2)17(13-6-7-13)15(19)8-4-11-3-5-12(16)9-14(11)18(20)21/h3-5,8-10,13H,6-7H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide?
N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 292.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 71882748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).