2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C11H10ClF3N4O4 — CID 55818009

IUPAC2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)NCC(F)(F)F
InChIInChI=1S/C11H10ClF3N4O4/c12-7-2-1-6(3-8(7)19(22)23)18-10(21)16-4-9(20)17-5-11(13,14)15/h1-3H,4-5H2,(H,17,20)(H2,16,18,21)
InChIKeySVISWUGRLFTJRV-UHFFFAOYSA-N
MW354.67 g/mol
LogP2.05
Rot. Bonds5

About 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55818009) has the molecular formula C11H10ClF3N4O4 and a molecular weight of 354.67 g/mol. Its IUPAC name is 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55818009
Molecular FormulaC11H10ClF3N4O4
Molecular Weight354.67 g/mol
Exact Mass354.03
IUPAC Name2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)NCC(F)(F)F
InChIInChI=1S/C11H10ClF3N4O4/c12-7-2-1-6(3-8(7)19(22)23)18-10(21)16-4-9(20)17-5-11(13,14)15/h1-3H,4-5H2,(H,17,20)(H2,16,18,21)
InChIKeySVISWUGRLFTJRV-UHFFFAOYSA-N
XLogP2.05
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
1-(4-chloro-3-nitrophenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473101
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463001
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
1-(4-chloro-3-nitrophenyl)-3-(2-ethoxyethyl)urea
CID 47248429
1-(4-chloro-3-nitrophenyl)-3-(phenoxymethyl)urea
CID 108888829
4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide
CID 7930157
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
1-(4-chloro-3-nitrophenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473100
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
1-(2-chloro-5-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655175

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55818009) is 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)NCC(F)(F)F.
What is the InChIKey of 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SVISWUGRLFTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O4/c12-7-2-1-6(3-8(7)19(22)23)18-10(21)16-4-9(20)17-5-11(13,14)15/h1-3H,4-5H2,(H,17,20)(H2,16,18,21).
What are the key properties of 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 354.67 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-nitrophenyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55818009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).