2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate

C17H16F2N2O3 — CID 75498506

IUPAC2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NCCOC(N)=O)cc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-8-12(18)3-5-13(10)14-4-2-11(9-15(14)19)16(22)21-6-7-24-17(20)23/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,21,22)
InChIKeyADIKWLIAIAJDGH-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.77
Rot. Bonds5

About 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate

2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate (PubChem CID 75498506) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate
PubChem CID75498506
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NCCOC(N)=O)cc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-8-12(18)3-5-13(10)14-4-2-11(9-15(14)19)16(22)21-6-7-24-17(20)23/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,21,22)
InChIKeyADIKWLIAIAJDGH-UHFFFAOYSA-N
XLogP2.77
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
CID 83214863
N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide
CID 166209290
2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
CID 119213700
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 119457311
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
2-[[4-(propylamino)benzoyl]amino]ethyl carbamate
CID 83215122
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate?
The IUPAC name of 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate (CID 75498506) is 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate is Cc1cc(F)ccc1-c1ccc(C(=O)NCCOC(N)=O)cc1F.
What is the InChIKey of 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate?
The InChIKey is ADIKWLIAIAJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-8-12(18)3-5-13(10)14-4-2-11(9-15(14)19)16(22)21-6-7-24-17(20)23/h2-5,8-9H,6-7H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate?
2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate has a molecular weight of 334.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate is sourced from PubChem (CID 75498506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).