N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide

C13H17FN4O5 — CID 122157662

IUPACN-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)C(=O)NCCF
InChIInChI=1S/C13H17FN4O5/c1-8(12(19)15-6-5-14)16-13(20)17-10-7-9(18(21)22)3-4-11(10)23-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H2,16,17,20)
InChIKeyYBWVIDXJRUTTEW-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.20
Rot. Bonds7

About N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide

N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide (PubChem CID 122157662) has the molecular formula C13H17FN4O5 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide
PubChem CID122157662
Molecular FormulaC13H17FN4O5
Molecular Weight328.30 g/mol
Exact Mass328.12
IUPAC NameN-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)C(=O)NCCF
InChIInChI=1S/C13H17FN4O5/c1-8(12(19)15-6-5-14)16-13(20)17-10-7-9(18(21)22)3-4-11(10)23-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H2,16,17,20)
InChIKeyYBWVIDXJRUTTEW-UHFFFAOYSA-N
XLogP1.20
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
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

1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
1-[1-(4-fluorophenyl)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031768
N-(2-methoxy-5-nitrophenyl)-2-(methylamino)propanamide
CID 60638823
3-hydroxy-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 61195522
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546
2-hydroxy-3-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 66165701
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-(2-methylpropyl)azanium
CID 8933751
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
1-[1-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 19259031
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031754
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide?
The IUPAC name of N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide (CID 122157662) is N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide?
The canonical SMILES for N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide?
The InChIKey is YBWVIDXJRUTTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O5/c1-8(12(19)15-6-5-14)16-13(20)17-10-7-9(18(21)22)3-4-11(10)23-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,19)(H2,16,17,20).
What are the key properties of N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide?
N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide has a molecular weight of 328.30 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanamide is sourced from PubChem (CID 122157662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).