N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide

C9H8ClF2N3O2 — CID 82889170

IUPACN-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide
SMILESNC(=O)NC(=O)CNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C9H8ClF2N3O2/c10-5-1-4(11)2-6(12)8(5)14-3-7(16)15-9(13)17/h1-2,14H,3H2,(H3,13,15,16,17)
InChIKeyQEURFGZGFINFRX-UHFFFAOYSA-N
MW263.63 g/mol
LogP1.23
Rot. Bonds3

About N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide

N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide (PubChem CID 82889170) has the molecular formula C9H8ClF2N3O2 and a molecular weight of 263.63 g/mol. Its IUPAC name is N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide
PubChem CID82889170
Molecular FormulaC9H8ClF2N3O2
Molecular Weight263.63 g/mol
Exact Mass263.03
IUPAC NameN-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide
SMILESNC(=O)NC(=O)CNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C9H8ClF2N3O2/c10-5-1-4(11)2-6(12)8(5)14-3-7(16)15-9(13)17/h1-2,14H,3H2,(H3,13,15,16,17)
InChIKeyQEURFGZGFINFRX-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.63
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(2-chloro-4,6-difluoroanilino)acetamide
CID 83073071
2-(2-chloro-4,6-difluoroanilino)-N-cyclohexylacetamide
CID 82889686
N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)propanamide
CID 83081905
N'-(2-chloro-4,6-difluorophenyl)ethane-1,2-diamine
CID 130589041
N-[2-(2-chloro-4,6-difluoroanilino)ethyl]acetamide
CID 107529852
2-(2,6-dichloro-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 83078212
2-(2,6-dichloro-4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 83079465
2-chloro-4,6-difluoro-N-(2-fluoroethyl)aniline
CID 83081590
6-(2-chloro-4,6-difluoroanilino)hexanoic acid
CID 83082133
4-(2-chloro-4,6-difluoroanilino)butan-1-ol
CID 83081105
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
CID 83087152

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide?
The IUPAC name of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide (CID 82889170) is N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide?
The canonical SMILES for N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide is NC(=O)NC(=O)CNc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide?
The InChIKey is QEURFGZGFINFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3O2/c10-5-1-4(11)2-6(12)8(5)14-3-7(16)15-9(13)17/h1-2,14H,3H2,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide?
N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide has a molecular weight of 263.63 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2-chloro-4,6-difluoroanilino)acetamide is sourced from PubChem (CID 82889170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).