2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide

C17H18ClN3O2 — CID 69077812

IUPAC2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide
SMILESCCC(C(=O)NNC(=O)c1ccccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-13(11-7-9-12(18)10-8-11)16(22)20-21-17(23)14-5-3-4-6-15(14)19/h3-10,13H,2,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyXPEADUBVKFBDRX-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide

2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide (PubChem CID 69077812) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide.

Molecular Properties

Compound Name2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide
PubChem CID69077812
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide
SMILESCCC(C(=O)NNC(=O)c1ccccc1N)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-2-13(11-7-9-12(18)10-8-11)16(22)20-21-17(23)14-5-3-4-6-15(14)19/h3-10,13H,2,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyXPEADUBVKFBDRX-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365
(2-phenylbutanoylamino)urea
CID 63946462
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-hydroxybenzohydrazide
CID 7535126
(3S)-3-(4-chlorophenyl)-3-[[(2R)-2-phenylbutanoyl]amino]propanoic acid
CID 7045314
(3S)-3-(4-chlorophenyl)-3-(2-phenylbutanoylamino)propanoic acid
CID 120606635
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
3-methyl-N'-(2-phenylbutanoyl)butanehydrazide
CID 43020201

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide?
The IUPAC name of 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide (CID 69077812) is 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide.
What is the SMILES notation for 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide?
The canonical SMILES for 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide is CCC(C(=O)NNC(=O)c1ccccc1N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide?
The InChIKey is XPEADUBVKFBDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-2-13(11-7-9-12(18)10-8-11)16(22)20-21-17(23)14-5-3-4-6-15(14)19/h3-10,13H,2,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide?
2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide has a molecular weight of 331.80 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-[2-(4-chlorophenyl)butanoyl]benzohydrazide is sourced from PubChem (CID 69077812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).