N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide

C12H14FN3O3 — CID 107348962

IUPACN-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc([N+](=O)[O-])c1F)NC1CC1
InChIInChI=1S/C12H14FN3O3/c13-12-8(2-1-3-10(12)16(18)19)6-14-7-11(17)15-9-4-5-9/h1-3,9,14H,4-7H2,(H,15,17)
InChIKeyPHCOFWJMDZNECW-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.10
Rot. Bonds6

About N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide

N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide (PubChem CID 107348962) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
PubChem CID107348962
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc([N+](=O)[O-])c1F)NC1CC1
InChIInChI=1S/C12H14FN3O3/c13-12-8(2-1-3-10(12)16(18)19)6-14-7-11(17)15-9-4-5-9/h1-3,9,14H,4-7H2,(H,15,17)
InChIKeyPHCOFWJMDZNECW-UHFFFAOYSA-N
XLogP1.10
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099902
2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-propylacetamide
CID 107348960
N-cyclopropyl-2-[(3-fluoro-2-hydroxyphenyl)methylamino]acetamide
CID 112606428
3-[[(2-fluoro-3-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129534
N-[(2-fluoro-3-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 107348937
2-cyclobutyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349447
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 107349489
N-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 107348405
2-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350116
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide (CID 107348962) is N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide is O=C(CNCc1cccc([N+](=O)[O-])c1F)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide?
The InChIKey is PHCOFWJMDZNECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c13-12-8(2-1-3-10(12)16(18)19)6-14-7-11(17)15-9-4-5-9/h1-3,9,14H,4-7H2,(H,15,17).
What are the key properties of N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide?
N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide has a molecular weight of 267.26 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide is sourced from PubChem (CID 107348962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).