N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide

C10H10F2N4O4 — CID 103740689

IUPACN-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
SMILESNC(=O)NCCNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H10F2N4O4/c11-5-1-2-6(16(19)20)8(12)7(5)9(17)14-3-4-15-10(13)18/h1-2H,3-4H2,(H,14,17)(H3,13,15,18)
InChIKeyIVCVLUAOMUGCOX-UHFFFAOYSA-N
MW288.21 g/mol
LogP0.27
Rot. Bonds5

About N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide

N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide (PubChem CID 103740689) has the molecular formula C10H10F2N4O4 and a molecular weight of 288.21 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
PubChem CID103740689
Molecular FormulaC10H10F2N4O4
Molecular Weight288.21 g/mol
Exact Mass288.07
IUPAC NameN-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide
SMILESNC(=O)NCCNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H10F2N4O4/c11-5-1-2-6(16(19)20)8(12)7(5)9(17)14-3-4-15-10(13)18/h1-2H,3-4H2,(H,14,17)(H3,13,15,18)
InChIKeyIVCVLUAOMUGCOX-UHFFFAOYSA-N
XLogP0.27
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-aminobutyl)-2,6-difluoro-3-nitrobenzamide
CID 79773252
N-(2-bromoethyl)-2,6-difluoro-3-nitrobenzamide
CID 79772843
[(2,6-difluoro-3-nitrobenzoyl)amino]urea
CID 79772861
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,6-difluoro-3-nitrobenzamide
CID 103740040
2,6-difluoro-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103740573
2,6-difluoro-N-(4-methylsulfanylbutyl)-3-nitrobenzamide
CID 103740692
2,6-difluoro-3-nitro-N-(2-propan-2-yloxyethyl)benzamide
CID 104582048
2,6-difluoro-3-nitrobenzamide
CID 2780101
2,6-difluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 113252599
N-[3-(2-bromoethoxy)propyl]-2,6-difluoro-3-nitrobenzamide
CID 106307788
3-[(2,6-difluoro-3-nitrobenzoyl)amino]-2-methylpropanoic acid
CID 79773538
2,6-difluoro-3-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103740642

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide (CID 103740689) is N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide is NC(=O)NCCNC(=O)c1c(F)ccc([N+](=O)[O-])c1F.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide?
The InChIKey is IVCVLUAOMUGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O4/c11-5-1-2-6(16(19)20)8(12)7(5)9(17)14-3-4-15-10(13)18/h1-2H,3-4H2,(H,14,17)(H3,13,15,18).
What are the key properties of N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide?
N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide has a molecular weight of 288.21 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2,6-difluoro-3-nitrobenzamide is sourced from PubChem (CID 103740689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).