N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide

C12H14F3N3O3 — CID 51085552

IUPACN-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C12H14F3N3O3/c1-7(19)16-4-5-17-12(20)18-8-2-3-10(9(13)6-8)21-11(14)15/h2-3,6,11H,4-5H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyGZGBOHPGWHOLTP-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.68
Rot. Bonds6

About N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide

N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide (PubChem CID 51085552) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
PubChem CID51085552
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC NameN-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C12H14F3N3O3/c1-7(19)16-4-5-17-12(20)18-8-2-3-10(9(13)6-8)21-11(14)15/h2-3,6,11H,4-5H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyGZGBOHPGWHOLTP-UHFFFAOYSA-N
XLogP1.68
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethoxy)-3-fluorophenyl]-3-propan-2-ylurea
CID 47261837
1-[4-(difluoromethoxy)-3-fluorophenyl]-3-[3-(N-methylanilino)propyl]urea
CID 52665262
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
2-hydroxyethyl N-[4-(difluoromethoxy)-3-fluorophenyl]carbamate
CID 79346339
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
4-(difluoromethoxy)-3-fluoro-N-propylaniline
CID 60942479
(2S)-4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838409
2-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-3-methylpentanamide;hydrochloride
CID 119734387
N-[4-(difluoromethoxy)-3-fluorophenyl]-2-phenylmethoxypropanamide
CID 87026041

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide (CID 51085552) is N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide?
The InChIKey is GZGBOHPGWHOLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-7(19)16-4-5-17-12(20)18-8-2-3-10(9(13)6-8)21-11(14)15/h2-3,6,11H,4-5H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide?
N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide has a molecular weight of 305.26 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 51085552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).