N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide

C17H23Cl2N3O3 — CID 10362812

IUPACN-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N(N)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2N3O3/c18-11-6-7-12(13(19)9-11)16(24)22(21)17(25)15(23)14(20)8-10-4-2-1-3-5-10/h6-7,9-10,14-15,23H,1-5,8,20-21H2/t14-,15?/m1/s1
InChIKeyHVFVTPMAENUEBO-GICMACPYSA-N
MW388.30 g/mol
LogP2.49
Rot. Bonds5

About N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide

N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide (PubChem CID 10362812) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide
PubChem CID10362812
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC NameN-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N(N)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2N3O3/c18-11-6-7-12(13(19)9-11)16(24)22(21)17(25)15(23)14(20)8-10-4-2-1-3-5-10/h6-7,9-10,14-15,23H,1-5,8,20-21H2/t14-,15?/m1/s1
InChIKeyHVFVTPMAENUEBO-GICMACPYSA-N
XLogP2.49
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide
CID 10449616
(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide
CID 10359067
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide
CID 11779868
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
CID 21199079
(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide
CID 87998464
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
CID 70065085
(3S)-3-amino-4-(cyclohexylmethylsulfanyl)-2-hydroxy-N-(4-methylphenyl)butanehydrazide
CID 70052517
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843883
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide (CID 10362812) is N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide is N[C@H](CC1CCCCC1)C(O)C(=O)N(N)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide?
The InChIKey is HVFVTPMAENUEBO-GICMACPYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c18-11-6-7-12(13(19)9-11)16(24)22(21)17(25)15(23)14(20)8-10-4-2-1-3-5-10/h6-7,9-10,14-15,23H,1-5,8,20-21H2/t14-,15?/m1/s1.
What are the key properties of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide?
N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide has a molecular weight of 388.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 10362812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).