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

C17H14Cl2N2O3 — CID 8870253

IUPAC(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccccc1Cl
InChIInChI=1S/C17H14Cl2N2O3/c18-12-5-6-15-10(8-12)7-11(9-24-15)16(22)20-21-17(23)13-3-1-2-4-14(13)19/h1-6,8,11H,7,9H2,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyHNAWFZZNAFHUJL-NSHDSACASA-N
MW365.22 g/mol
LogP3.01
Rot. Bonds2

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

(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (PubChem CID 8870253) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
PubChem CID8870253
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccccc1Cl
InChIInChI=1S/C17H14Cl2N2O3/c18-12-5-6-15-10(8-12)7-11(9-24-15)16(22)20-21-17(23)13-3-1-2-4-14(13)19/h1-6,8,11H,7,9H2,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyHNAWFZZNAFHUJL-NSHDSACASA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9086828
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
(3S)-6-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 25496712
(3R)-6-chloro-N'-(4-nitrobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8869414
(3R)-6-chloro-N'-[(3R)-1,1-dioxothiolane-3-carbonyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9082991
(3S)-6-chloro-N'-[2-(2-fluorophenoxy)acetyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9085828
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
(3S)-6-chloro-N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9092926
(3S)-N'-[2-(1-adamantyl)acetyl]-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9086049
6-chloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 46652914
6-chloro-N-(2-hydroxy-1-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 110001475

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The IUPAC name of (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (CID 8870253) is (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.
What is the SMILES notation for (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The canonical SMILES for (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is O=C(NNC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccccc1Cl.
What is the InChIKey of (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The InChIKey is HNAWFZZNAFHUJL-NSHDSACASA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c18-12-5-6-15-10(8-12)7-11(9-24-15)16(22)20-21-17(23)13-3-1-2-4-14(13)19/h1-6,8,11H,7,9H2,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide has a molecular weight of 365.22 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is sourced from PubChem (CID 8870253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).