N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide

C15H17Cl2NO3 — CID 99795973

IUPACN-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CCOc2c1ccc(Cl)c2Cl)C1CCOCC1
InChIInChI=1S/C15H17Cl2NO3/c16-11-2-1-10-12(5-8-21-14(10)13(11)17)18-15(19)9-3-6-20-7-4-9/h1-2,9,12H,3-8H2,(H,18,19)/t12-/m1/s1
InChIKeyPJMDCAZHPQOGHG-GFCCVEGCSA-N
MW330.21 g/mol
LogP3.36
Rot. Bonds2

About N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide

N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide (PubChem CID 99795973) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
PubChem CID99795973
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC NameN-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CCOc2c1ccc(Cl)c2Cl)C1CCOCC1
InChIInChI=1S/C15H17Cl2NO3/c16-11-2-1-10-12(5-8-21-14(10)13(11)17)18-15(19)9-3-6-20-7-4-9/h1-2,9,12H,3-8H2,(H,18,19)/t12-/m1/s1
InChIKeyPJMDCAZHPQOGHG-GFCCVEGCSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxamide
CID 119301911
N-[(5R)-8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]acetamide
CID 95271671
2-(cyclopropanecarbonylamino)-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 138997796
5-cyclopropyl-N-[(4S)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]-1,2-oxazole-3-carboxamide
CID 124850095
2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide
CID 139009293
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
CID 95279883
1-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]urea
CID 167971877
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-1,3-thiazolidine-4-carboxamide
CID 119301900
(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 94660912
N-[2-[[(5S)-8,9-dichloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 97011287
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide (CID 99795973) is N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide is O=C(N[C@@H]1CCOc2c1ccc(Cl)c2Cl)C1CCOCC1.
What is the InChIKey of N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide?
The InChIKey is PJMDCAZHPQOGHG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-11-2-1-10-12(5-8-21-14(10)13(11)17)18-15(19)9-3-6-20-7-4-9/h1-2,9,12H,3-8H2,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide?
N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide has a molecular weight of 330.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-7,8-dichloro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 99795973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).