(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide

C17H14ClFN2O3 — CID 8870613

IUPAC(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O3/c18-13-3-6-15-11(8-13)7-12(9-24-15)17(23)21-20-16(22)10-1-4-14(19)5-2-10/h1-6,8,12H,7,9H2,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyGJICCBZQFPQQAM-GFCCVEGCSA-N
MW348.76 g/mol
LogP2.49
Rot. Bonds2

About (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide

(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (PubChem CID 8870613) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
PubChem CID8870613
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O3/c18-13-3-6-15-11(8-13)7-12(9-24-15)17(23)21-20-16(22)10-1-4-14(19)5-2-10/h1-6,8,12H,7,9H2,(H,20,22)(H,21,23)/t12-/m1/s1
InChIKeyGJICCBZQFPQQAM-GFCCVEGCSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8869414
(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-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25465679
(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9086828
6-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 55414152
(3S)-6-chloro-N'-[2-(2-fluorophenoxy)acetyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9085828
6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 46656679
6-chloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 46652914
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
(3S)-3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 129360459
(3R)-6-chloro-N'-[(3R)-1,1-dioxothiolane-3-carbonyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9082991

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The IUPAC name of (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (CID 8870613) is (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.
What is the SMILES notation for (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The canonical SMILES for (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is O=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(F)cc1.
What is the InChIKey of (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The InChIKey is GJICCBZQFPQQAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-13-3-6-15-11(8-13)7-12(9-24-15)17(23)21-20-16(22)10-1-4-14(19)5-2-10/h1-6,8,12H,7,9H2,(H,20,22)(H,21,23)/t12-/m1/s1.
What are the key properties of (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide has a molecular weight of 348.76 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is sourced from PubChem (CID 8870613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).