N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide

C12H13ClN2O3 — CID 138563925

IUPACN-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)c1cc(Cl)ccc1NC=O
InChIInChI=1S/C12H13ClN2O3/c1-8(17)14-5-4-12(18)10-6-9(13)2-3-11(10)15-7-16/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyFKHWTFAPCCRWMA-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.62
Rot. Bonds6

About N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide

N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide (PubChem CID 138563925) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide
PubChem CID138563925
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC NameN-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)c1cc(Cl)ccc1NC=O
InChIInChI=1S/C12H13ClN2O3/c1-8(17)14-5-4-12(18)10-6-9(13)2-3-11(10)15-7-16/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,15,16)
InChIKeyFKHWTFAPCCRWMA-UHFFFAOYSA-N
XLogP1.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetamidopropanoylamino)-4-chlorobenzoic acid
CID 43170489
N-(4-chloro-2-formamidophenyl)-2-methoxyacetamide
CID 168652286
4-chloro-2-formamidobenzoic acid
CID 61146469
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
N-[4-chloro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]formamide
CID 6522385
2-(2-acetamidoethoxy)-5-chlorobenzoic acid
CID 60676519
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
2-(3-acetamidopropoxy)-5-chlorobenzoic acid
CID 67057090
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
N-[4-chloro-2-(2-phenoxybenzoyl)phenyl]formamide
CID 88886136
N-[4-(chloromethyl)-2-(2-methylsulfinylacetyl)phenyl]formamide
CID 57222291
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide (CID 138563925) is N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide is CC(=O)NCCC(=O)c1cc(Cl)ccc1NC=O.
What is the InChIKey of N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide?
The InChIKey is FKHWTFAPCCRWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-8(17)14-5-4-12(18)10-6-9(13)2-3-11(10)15-7-16/h2-3,6-7H,4-5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide?
N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide has a molecular weight of 268.70 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-formamidophenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 138563925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).