4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide

C18H16ClN3O2 — CID 2088419

IUPAC4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-8-5-12(6-9-14)18(24)22-21-17(23)10-7-13-11-20-16-4-2-1-3-15(13)16/h1-6,8-9,11,20H,7,10H2,(H,21,23)(H,22,24)
InChIKeyRYYJZSWOFMKSTC-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.22
Rot. Bonds4

About 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide

4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide (PubChem CID 2088419) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
PubChem CID2088419
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O2/c19-14-8-5-12(6-9-14)18(24)22-21-17(23)10-7-13-11-20-16-4-2-1-3-15(13)16/h1-6,8-9,11,20H,7,10H2,(H,21,23)(H,22,24)
InChIKeyRYYJZSWOFMKSTC-UHFFFAOYSA-N
XLogP3.22
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
4-chloro-N-[N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 2950550
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
CID 27449168
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide (CID 2088419) is 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide is O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
The InChIKey is RYYJZSWOFMKSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-8-5-12(6-9-14)18(24)22-21-17(23)10-7-13-11-20-16-4-2-1-3-15(13)16/h1-6,8-9,11,20H,7,10H2,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide has a molecular weight of 341.80 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 2088419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).