4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide

C13H17ClN2O2 — CID 63307585

IUPAC4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCCCl
InChIInChI=1S/C13H17ClN2O2/c1-15-13(18)9-10-5-2-3-6-11(10)16-12(17)7-4-8-14/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyOMPRHNSTVLBIGB-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.93
Rot. Bonds6

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

4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide (PubChem CID 63307585) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
PubChem CID63307585
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCCCl
InChIInChI=1S/C13H17ClN2O2/c1-15-13(18)9-10-5-2-3-6-11(10)16-12(17)7-4-8-14/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyOMPRHNSTVLBIGB-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.93
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

4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 114014721
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
ethyl 2-[2-(5-chloropentanoylamino)phenyl]acetate
CID 19599425
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062
2-methyl-2-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55121879
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62045995
N-(2-ethylphenyl)undecanamide
CID 5078439

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The IUPAC name of 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide (CID 63307585) is 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide is CNC(=O)Cc1ccccc1NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The InChIKey is OMPRHNSTVLBIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-15-13(18)9-10-5-2-3-6-11(10)16-12(17)7-4-8-14/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide has a molecular weight of 268.74 g/mol, XLogP of 1.93, 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-[2-(methylamino)-2-oxoethyl]phenyl]butanamide is sourced from PubChem (CID 63307585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).