(3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide

C26H26BrN3O4 — CID 41244641

IUPAC(3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide
SMILESC[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26BrN3O4/c1-18(16-25(32)29-30-26(33)20-7-9-21(27)10-8-20)15-24(31)28-22-11-13-23(14-12-22)34-17-19-5-3-2-4-6-19/h2-14,18H,15-17H2,1H3,(H,28,31)(H,29,32)(H,30,33)/t18-/m1/s1
InChIKeyMGBLKDPWOCBRDU-GOSISDBHSA-N
MW524.42 g/mol
LogP4.84
Rot. Bonds9

About (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide

(3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide (PubChem CID 41244641) has the molecular formula C26H26BrN3O4 and a molecular weight of 524.42 g/mol. Its IUPAC name is (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide.

Molecular Properties

Compound Name(3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide
PubChem CID41244641
Molecular FormulaC26H26BrN3O4
Molecular Weight524.42 g/mol
Exact Mass523.11
IUPAC Name(3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide
SMILESC[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H26BrN3O4/c1-18(16-25(32)29-30-26(33)20-7-9-21(27)10-8-20)15-24(31)28-22-11-13-23(14-12-22)34-17-19-5-3-2-4-6-19/h2-14,18H,15-17H2,1H3,(H,28,31)(H,29,32)(H,30,33)/t18-/m1/s1
InChIKeyMGBLKDPWOCBRDU-GOSISDBHSA-N
XLogP4.84
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.42
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
4-phenylmethoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 22779889
methyl 4-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzoate
CID 7950516
4-[[2-(4-bromophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43887517
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
2,2-dimethoxyethyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 2531888
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide?
The IUPAC name of (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide (CID 41244641) is (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide.
What is the SMILES notation for (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide?
The canonical SMILES for (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide is C[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1)CC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide?
The InChIKey is MGBLKDPWOCBRDU-GOSISDBHSA-N. The full InChI is InChI=1S/C26H26BrN3O4/c1-18(16-25(32)29-30-26(33)20-7-9-21(27)10-8-20)15-24(31)28-22-11-13-23(14-12-22)34-17-19-5-3-2-4-6-19/h2-14,18H,15-17H2,1H3,(H,28,31)(H,29,32)(H,30,33)/t18-/m1/s1.
What are the key properties of (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide?
(3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide has a molecular weight of 524.42 g/mol, XLogP of 4.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[2-(4-bromobenzoyl)hydrazinyl]-3-methyl-5-oxo-N-(4-phenylmethoxyphenyl)pentanamide is sourced from PubChem (CID 41244641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).