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

C12H14ClNO3 — CID 146077159

IUPAC2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCOC1COc2ccccc2C1NC(=O)CCl
InChIInChI=1S/C12H14ClNO3/c1-16-10-7-17-9-5-3-2-4-8(9)12(10)14-11(15)6-13/h2-5,10,12H,6-7H2,1H3,(H,14,15)
InChIKeyMXDSRZNQUFSDEL-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.49
Rot. Bonds3

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

2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 146077159) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID146077159
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCOC1COc2ccccc2C1NC(=O)CCl
InChIInChI=1S/C12H14ClNO3/c1-16-10-7-17-9-5-3-2-4-8(9)12(10)14-11(15)6-13/h2-5,10,12H,6-7H2,1H3,(H,14,15)
InChIKeyMXDSRZNQUFSDEL-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]acetamide
CID 146094463
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
methyl 2-[[4-(ethylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]acetate
CID 64615419
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
methyl 2-[[4-(benzhydrylideneamino)-3,4-dihydro-2H-chromen-3-yl]oxy]acetate
CID 167482739
methyl 3-(3-methoxy-4-methyl-3,4-dihydro-2H-1-benzoxepin-5-ylidene)propanoate
CID 75307887
2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 134536580
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide (CID 146077159) is 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide is COC1COc2ccccc2C1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is MXDSRZNQUFSDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-16-10-7-17-9-5-3-2-4-8(9)12(10)14-11(15)6-13/h2-5,10,12H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide?
2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 255.70 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxy-3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 146077159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).