2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate

C13H13FN2O4 — CID 83203645

IUPAC2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C13H13FN2O4/c14-11-4-3-9(2-1-6-17)8-10(11)12(18)16-5-7-20-13(15)19/h3-4,8,17H,5-7H2,(H2,15,19)(H,16,18)
InChIKeyOHYQTTPJXNSBIG-UHFFFAOYSA-N
MW280.26 g/mol
LogP-0.01
Rot. Bonds4

About 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate

2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate (PubChem CID 83203645) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
PubChem CID83203645
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C13H13FN2O4/c14-11-4-3-9(2-1-6-17)8-10(11)12(18)16-5-7-20-13(15)19/h3-4,8,17H,5-7H2,(H2,15,19)(H,16,18)
InChIKeyOHYQTTPJXNSBIG-UHFFFAOYSA-N
XLogP-0.01
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-4-oxobutyl)-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 60864702
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60820953
2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 106240624
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 65311317
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406637
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
CID 60817068

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate (CID 83203645) is 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate is NC(=O)OCCNC(=O)c1cc(C#CCO)ccc1F.
What is the InChIKey of 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate?
The InChIKey is OHYQTTPJXNSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c14-11-4-3-9(2-1-6-17)8-10(11)12(18)16-5-7-20-13(15)19/h3-4,8,17H,5-7H2,(H2,15,19)(H,16,18).
What are the key properties of 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate?
2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate has a molecular weight of 280.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate is sourced from PubChem (CID 83203645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).