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

C17H14ClN3O5 — CID 8869414

IUPAC(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14ClN3O5/c18-13-3-6-15-11(8-13)7-12(9-26-15)17(23)20-19-16(22)10-1-4-14(5-2-10)21(24)25/h1-6,8,12H,7,9H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWMMHDVYNEMBMIS-GFCCVEGCSA-N
MW375.77 g/mol
LogP2.26
Rot. Bonds3

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

(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (PubChem CID 8869414) has the molecular formula C17H14ClN3O5 and a molecular weight of 375.77 g/mol. Its IUPAC name is (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
PubChem CID8869414
Molecular FormulaC17H14ClN3O5
Molecular Weight375.77 g/mol
Exact Mass375.06
IUPAC Name(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14ClN3O5/c18-13-3-6-15-11(8-13)7-12(9-26-15)17(23)20-19-16(22)10-1-4-14(5-2-10)21(24)25/h1-6,8,12H,7,9H2,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWMMHDVYNEMBMIS-GFCCVEGCSA-N
XLogP2.26
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-6-chloro-N'-(4-nitrobenzoyl)-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

(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
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 9088245
(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9086828
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
6-chloro-N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 55414152
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
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
N-[4-(tert-butylcarbamoyl)phenyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 46540201
(3R)-6-chloro-N'-[(3R)-1,1-dioxothiolane-3-carbonyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9082991
(3S)-N'-[2-(1-adamantyl)acetyl]-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9086049

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The IUPAC name of (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (CID 8869414) is (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.
What is the SMILES notation for (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The canonical SMILES for (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is O=C(NNC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The InChIKey is WMMHDVYNEMBMIS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14ClN3O5/c18-13-3-6-15-11(8-13)7-12(9-26-15)17(23)20-19-16(22)10-1-4-14(5-2-10)21(24)25/h1-6,8,12H,7,9H2,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide has a molecular weight of 375.77 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is sourced from PubChem (CID 8869414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).