(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide

C15H13ClN2O4 — CID 9086828

IUPAC(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccco1
InChIInChI=1S/C15H13ClN2O4/c16-11-3-4-12-9(7-11)6-10(8-22-12)14(19)17-18-15(20)13-2-1-5-21-13/h1-5,7,10H,6,8H2,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyPTYHPTVVQRMZDT-JTQLQIEISA-N
MW320.73 g/mol
LogP1.95
Rot. Bonds2

About (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide

(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (PubChem CID 9086828) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
PubChem CID9086828
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccco1
InChIInChI=1S/C15H13ClN2O4/c16-11-3-4-12-9(7-11)6-10(8-22-12)14(19)17-18-15(20)13-2-1-5-21-13/h1-5,7,10H,6,8H2,(H,17,19)(H,18,20)/t10-/m0/s1
InChIKeyPTYHPTVVQRMZDT-JTQLQIEISA-N
XLogP1.95
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870253
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870613
[2-(furan-2-carbonylamino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 55460233
(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8869414
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
6-chloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 46652914
N'-[(1S,5R)-bicyclo[3.1.0]hexane-3-carbonyl]furan-2-carbohydrazide
CID 154865742
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665
(3R)-6-chloro-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25465679
6-chloro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17461192

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The IUPAC name of (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (CID 9086828) is (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.
What is the SMILES notation for (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The canonical SMILES for (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is O=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccco1.
What is the InChIKey of (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The InChIKey is PTYHPTVVQRMZDT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13ClN2O4/c16-11-3-4-12-9(7-11)6-10(8-22-12)14(19)17-18-15(20)13-2-1-5-21-13/h1-5,7,10H,6,8H2,(H,17,19)(H,18,20)/t10-/m0/s1.
What are the key properties of (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide has a molecular weight of 320.73 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is sourced from PubChem (CID 9086828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).