4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide

C8H15ClN2O2 — CID 63309569

IUPAC4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide
SMILESCCNC(=O)CNC(=O)CCCCl
InChIInChI=1S/C8H15ClN2O2/c1-2-10-8(13)6-11-7(12)4-3-5-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyPVBJNJMAHSIBDA-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.26
Rot. Bonds6

About 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide

4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide (PubChem CID 63309569) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide
PubChem CID63309569
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide
SMILESCCNC(=O)CNC(=O)CCCCl
InChIInChI=1S/C8H15ClN2O2/c1-2-10-8(13)6-11-7(12)4-3-5-9/h2-6H2,1H3,(H,10,13)(H,11,12)
InChIKeyPVBJNJMAHSIBDA-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.26
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

N-[2-(ethylamino)-2-oxoethyl]-4-(methylamino)butanamide
CID 60843110
N,N'-diethylnonanediamide
CID 89048639
N-butyl-4-chlorobutanamide
CID 4218503
2-[(2-bromoacetyl)amino]-N-ethylacetamide
CID 58987159
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
N'-ethylnonanediamide
CID 18377762
N-ethyl-5-oxopentanamide
CID 54062498
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide (CID 63309569) is 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide is CCNC(=O)CNC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide?
The InChIKey is PVBJNJMAHSIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-2-10-8(13)6-11-7(12)4-3-5-9/h2-6H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide?
4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide has a molecular weight of 206.67 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(ethylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 63309569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).