N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide

C14H15FN2O4 — CID 106240624

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESNC(=O)COCCNC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C14H15FN2O4/c15-12-8-10(2-1-6-18)3-4-11(12)14(20)17-5-7-21-9-13(16)19/h3-4,8,18H,5-7,9H2,(H2,16,19)(H,17,20)
InChIKeyBXYMUEMFPRFENV-UHFFFAOYSA-N
MW294.28 g/mol
LogP-0.60
Rot. Bonds6

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 106240624) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID106240624
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESNC(=O)COCCNC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C14H15FN2O4/c15-12-8-10(2-1-6-18)3-4-11(12)14(20)17-5-7-21-9-13(16)19/h3-4,8,18H,5-7,9H2,(H2,16,19)(H,17,20)
InChIKeyBXYMUEMFPRFENV-UHFFFAOYSA-N
XLogP-0.60
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-0.60
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 N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide 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-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
CID 60817068
2-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203645
N-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60821598
N-(4-amino-4-oxobutyl)-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 60864702
N-(cyclobutylmethyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816128
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 106240647
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817076

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (CID 106240624) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is NC(=O)COCCNC(=O)c1ccc(C#CCO)cc1F.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is BXYMUEMFPRFENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-12-8-10(2-1-6-18)3-4-11(12)14(20)17-5-7-21-9-13(16)19/h3-4,8,18H,5-7,9H2,(H2,16,19)(H,17,20).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 294.28 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 106240624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).