3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide

C19H17F2N3O2 — CID 55616581

IUPAC3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccc(F)c(F)c1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H17F2N3O2/c20-15-7-5-12(9-16(15)21)6-8-18(25)23-24-19(26)10-13-11-22-17-4-2-1-3-14(13)17/h1-5,7,9,11,22H,6,8,10H2,(H,23,25)(H,24,26)
InChIKeyMEZHMAZBEZAYMO-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.77
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide

3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide (PubChem CID 55616581) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
PubChem CID55616581
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
SMILESO=C(CCc1ccc(F)c(F)c1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H17F2N3O2/c20-15-7-5-12(9-16(15)21)6-8-18(25)23-24-19(26)10-13-11-22-17-4-2-1-3-14(13)17/h1-5,7,9,11,22H,6,8,10H2,(H,23,25)(H,24,26)
InChIKeyMEZHMAZBEZAYMO-UHFFFAOYSA-N
XLogP2.77
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.77
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

3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 17485569
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905428
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
1-(3-chloro-4-fluorophenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]thiourea
CID 8767861

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide (CID 55616581) is 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide is O=C(CCc1ccc(F)c(F)c1)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
The InChIKey is MEZHMAZBEZAYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-15-7-5-12(9-16(15)21)6-8-18(25)23-24-19(26)10-13-11-22-17-4-2-1-3-14(13)17/h1-5,7,9,11,22H,6,8,10H2,(H,23,25)(H,24,26).
What are the key properties of 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide?
3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide has a molecular weight of 357.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide is sourced from PubChem (CID 55616581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).