4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide

C17H17F2N3O3 — CID 56803329

IUPAC4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2N3O3/c18-14-6-5-13(9-15(14)19)25-8-7-21-16(23)12-3-1-11(2-4-12)10-22-17(20)24/h1-6,9H,7-8,10H2,(H,21,23)(H3,20,22,24)
InChIKeyYINFYAVYSRECSV-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.94
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide

4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide (PubChem CID 56803329) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
PubChem CID56803329
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2N3O3/c18-14-6-5-13(9-15(14)19)25-8-7-21-16(23)12-3-1-11(2-4-12)10-22-17(20)24/h1-6,9H,7-8,10H2,(H,21,23)(H3,20,22,24)
InChIKeyYINFYAVYSRECSV-UHFFFAOYSA-N
XLogP1.94
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]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-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 56782452
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
3,4-difluoro-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]benzamide
CID 87640488
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
N-[2-(3-aminophenoxy)ethyl]-3-chloro-4-fluorobenzamide
CID 82874414
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
3-amino-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylbutanamide;hydrochloride
CID 120500595
1-[2-(3,4-difluorophenoxy)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111435092

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide (CID 56803329) is 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide is NC(=O)NCc1ccc(C(=O)NCCOc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide?
The InChIKey is YINFYAVYSRECSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c18-14-6-5-13(9-15(14)19)25-8-7-21-16(23)12-3-1-11(2-4-12)10-22-17(20)24/h1-6,9H,7-8,10H2,(H,21,23)(H3,20,22,24).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide?
4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide has a molecular weight of 349.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide is sourced from PubChem (CID 56803329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).