2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide

C13H16ClNO2 — CID 108734122

IUPAC2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)C(C)Cl)CCO2
InChIInChI=1S/C13H16ClNO2/c1-8-3-4-12-10(7-8)11(5-6-17-12)15-13(16)9(2)14/h3-4,7,9,11H,5-6H2,1-2H3,(H,15,16)
InChIKeyAQPFYOCFPWWDGJ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide

2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide (PubChem CID 108734122) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
PubChem CID108734122
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)C(C)Cl)CCO2
InChIInChI=1S/C13H16ClNO2/c1-8-3-4-12-10(7-8)11(5-6-17-12)15-13(16)9(2)14/h3-4,7,9,11H,5-6H2,1-2H3,(H,15,16)
InChIKeyAQPFYOCFPWWDGJ-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
2-bromo-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)butanamide
CID 108734108
2,2,2-trichloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734077
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)pentanamide
CID 108757452
2-methyl-N-(7-methyl-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)propanamide
CID 110478514
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
(E)-3-(2-chlorophenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)prop-2-enamide
CID 108757471
2-(3,4-dimethoxyphenyl)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 108734105
2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
3-(2-chlorophenoxy)-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108811035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
The IUPAC name of 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide (CID 108734122) is 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
The canonical SMILES for 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide is Cc1ccc2c(c1)C(NC(=O)C(C)Cl)CCO2.
What is the InChIKey of 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
The InChIKey is AQPFYOCFPWWDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-3-4-12-10(7-8)11(5-6-17-12)15-13(16)9(2)14/h3-4,7,9,11H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide?
2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide has a molecular weight of 253.73 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)propanamide is sourced from PubChem (CID 108734122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).