4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide

C8H15ClN2O2 — CID 63308286

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

About 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide

4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide (PubChem CID 63308286) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
PubChem CID63308286
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
SMILESCNC(=O)CCNC(=O)CCCCl
InChIInChI=1S/C8H15ClN2O2/c1-10-7(12)4-6-11-8(13)3-2-5-9/h2-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyXHHKBHFDHTVNRD-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-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
N-butyl-4-chlorobutanamide
CID 4218503
4-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]butanamide
CID 108574582
N-butyl-5-chloropentanamide
CID 28733165
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
4-chloro-N-(2-ethylsulfanylethyl)butanamide
CID 82109496
N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
CID 108573864
N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide
CID 158652693
N-(3-chloropropyl)dodecanamide
CID 17164369
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide?
The IUPAC name of 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide (CID 63308286) is 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide.
What is the SMILES notation for 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide?
The canonical SMILES for 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide is CNC(=O)CCNC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide?
The InChIKey is XHHKBHFDHTVNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O2/c1-10-7(12)4-6-11-8(13)3-2-5-9/h2-6H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide?
4-chloro-N-[3-(methylamino)-3-oxopropyl]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-[3-(methylamino)-3-oxopropyl]butanamide is sourced from PubChem (CID 63308286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).