4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide

C13H16ClNO2 — CID 63309102

IUPAC4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESO=C(CCCCl)NC1CCOc2ccccc21
InChIInChI=1S/C13H16ClNO2/c14-8-3-6-13(16)15-11-7-9-17-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,15,16)
InChIKeySVQQYQSZAWLECA-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide

4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide (PubChem CID 63309102) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
PubChem CID63309102
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
SMILESO=C(CCCCl)NC1CCOc2ccccc21
InChIInChI=1S/C13H16ClNO2/c14-8-3-6-13(16)15-11-7-9-17-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,15,16)
InChIKeySVQQYQSZAWLECA-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.65
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

5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
N-(3,4-dihydro-2H-chromen-4-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 18164395
3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 18193013
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
N-(3,4-dihydro-2H-chromen-4-yl)-2-naphthalen-1-ylacetamide
CID 18115215
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 41036701
N-cyclopropyl-4-[[N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111316036

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide?
The IUPAC name of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide (CID 63309102) is 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide?
The canonical SMILES for 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide is O=C(CCCCl)NC1CCOc2ccccc21.
What is the InChIKey of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide?
The InChIKey is SVQQYQSZAWLECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-8-3-6-13(16)15-11-7-9-17-12-5-2-1-4-10(11)12/h1-2,4-5,11H,3,6-9H2,(H,15,16).
What are the key properties of 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide?
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide has a molecular weight of 253.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide is sourced from PubChem (CID 63309102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).