N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide

C18H21ClN2O3 — CID 126795271

IUPACN-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CN(C(=O)C2COc3ccc(Cl)cc3C2)C1)C1CCC1
InChIInChI=1S/C18H21ClN2O3/c19-14-4-5-16-12(7-14)6-13(10-24-16)18(23)21-8-15(9-21)20-17(22)11-2-1-3-11/h4-5,7,11,13,15H,1-3,6,8-10H2,(H,20,22)
InChIKeyVGLLRRDJONMMLK-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.02
Rot. Bonds3

About N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide

N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide (PubChem CID 126795271) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide
PubChem CID126795271
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide
SMILESO=C(NC1CN(C(=O)C2COc3ccc(Cl)cc3C2)C1)C1CCC1
InChIInChI=1S/C18H21ClN2O3/c19-14-4-5-16-12(7-14)6-13(10-24-16)18(23)21-8-15(9-21)20-17(22)11-2-1-3-11/h4-5,7,11,13,15H,1-3,6,8-10H2,(H,20,22)
InChIKeyVGLLRRDJONMMLK-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]methanone
CID 8547957
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 120657795
1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
6-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 71893150
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 126775379
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
ethyl (3R)-1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-3-carboxylate
CID 51926919
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542766
6-chloro-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 127463379
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 8967651
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
2-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]acetamide
CID 94215472

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide (CID 126795271) is N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide is O=C(NC1CN(C(=O)C2COc3ccc(Cl)cc3C2)C1)C1CCC1.
What is the InChIKey of N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide?
The InChIKey is VGLLRRDJONMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c19-14-4-5-16-12(7-14)6-13(10-24-16)18(23)21-8-15(9-21)20-17(22)11-2-1-3-11/h4-5,7,11,13,15H,1-3,6,8-10H2,(H,20,22).
What are the key properties of N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide?
N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)azetidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 126795271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).