N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide

C21H24Cl2N2O3 — CID 22946156

IUPACN-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide
SMILESCNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)N(O)C(=O)CCCCc1ccccc1
InChIInChI=1S/C21H24Cl2N2O3/c1-24-21(27)19(14-16-11-12-17(22)18(23)13-16)25(28)20(26)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,19,28H,5-6,9-10,14H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyJWLIMYCXPLJICZ-IBGZPJMESA-N
MW423.34 g/mol
LogP4.28
Rot. Bonds9

About N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide

N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide (PubChem CID 22946156) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide
PubChem CID22946156
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC NameN-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide
SMILESCNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)N(O)C(=O)CCCCc1ccccc1
InChIInChI=1S/C21H24Cl2N2O3/c1-24-21(27)19(14-16-11-12-17(22)18(23)13-16)25(28)20(26)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,19,28H,5-6,9-10,14H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyJWLIMYCXPLJICZ-IBGZPJMESA-N
XLogP4.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide?
The IUPAC name of N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide (CID 22946156) is N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide.
What is the SMILES notation for N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide?
The canonical SMILES for N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide is CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)N(O)C(=O)CCCCc1ccccc1.
What is the InChIKey of N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide?
The InChIKey is JWLIMYCXPLJICZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-24-21(27)19(14-16-11-12-17(22)18(23)13-16)25(28)20(26)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-13,19,28H,5-6,9-10,14H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide?
N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide has a molecular weight of 423.34 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,4-dichlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 22946156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).