2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

C14H19ClN2O3 — CID 51307796

IUPAC2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-17(10-13(18)16-8-5-9-20-2)14(19)11-6-3-4-7-12(11)15/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyVONXZFCKKWOJDA-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.56
Rot. Bonds7

About 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide

2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 51307796) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID51307796
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-17(10-13(18)16-8-5-9-20-2)14(19)11-6-3-4-7-12(11)15/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyVONXZFCKKWOJDA-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307804
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 84589607
3-bromo-4-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 103841802
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
2-chloro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 61051517
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
CID 51098155
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide (CID 51307796) is 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is COCCCNC(=O)CN(C)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is VONXZFCKKWOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-17(10-13(18)16-8-5-9-20-2)14(19)11-6-3-4-7-12(11)15/h3-4,6-7H,5,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide?
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 298.77 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 51307796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).