2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide

C9H7Cl3N2O2 — CID 43145991

IUPAC2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl3N2O2/c10-4-8(15)14-9(16)13-7-3-5(11)1-2-6(7)12/h1-3H,4H2,(H2,13,14,15,16)
InChIKeyGFOIXGDXNXIELB-UHFFFAOYSA-N
MW281.53 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide

2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide (PubChem CID 43145991) has the molecular formula C9H7Cl3N2O2 and a molecular weight of 281.53 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
PubChem CID43145991
Molecular FormulaC9H7Cl3N2O2
Molecular Weight281.53 g/mol
Exact Mass279.96
IUPAC Name2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
SMILESO=C(CCl)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl3N2O2/c10-4-8(15)14-9(16)13-7-3-5(11)1-2-6(7)12/h1-3H,4H2,(H2,13,14,15,16)
InChIKeyGFOIXGDXNXIELB-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
6-[(2,5-dichlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447201
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide (CID 43145991) is 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide is O=C(CCl)NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide?
The InChIKey is GFOIXGDXNXIELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N2O2/c10-4-8(15)14-9(16)13-7-3-5(11)1-2-6(7)12/h1-3H,4H2,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide?
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide has a molecular weight of 281.53 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide is sourced from PubChem (CID 43145991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).