(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide

C16H20ClNO3 — CID 94809553

IUPAC(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21
InChIInChI=1S/C16H20ClNO3/c1-10(21-9-11-5-6-11)16(19)18-14-7-8-20-15-12(14)3-2-4-13(15)17/h2-4,10-11,14H,5-9H2,1H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyMYPAYUWAKUFVDV-IINYFYTJSA-N
MW309.79 g/mol
LogP3.09
Rot. Bonds5

About (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide

(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide (PubChem CID 94809553) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide
PubChem CID94809553
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide
SMILESC[C@H](OCC1CC1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21
InChIInChI=1S/C16H20ClNO3/c1-10(21-9-11-5-6-11)16(19)18-14-7-8-20-15-12(14)3-2-4-13(15)17/h2-4,10-11,14H,5-9H2,1H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyMYPAYUWAKUFVDV-IINYFYTJSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-but-3-enoxy-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 95275872
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide
CID 119746258
4-acetamido-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 60572091
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(ethylsulfonylamino)acetamide
CID 124588113
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 98755667
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-(4-chlorophenyl)sulfonylacetamide
CID 60571835
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077858

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide (CID 94809553) is (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide is C[C@H](OCC1CC1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21.
What is the InChIKey of (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide?
The InChIKey is MYPAYUWAKUFVDV-IINYFYTJSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-10(21-9-11-5-6-11)16(19)18-14-7-8-20-15-12(14)3-2-4-13(15)17/h2-4,10-11,14H,5-9H2,1H3,(H,18,19)/t10-,14+/m0/s1.
What are the key properties of (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide?
(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide has a molecular weight of 309.79 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 94809553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).