[1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate

C27H27Cl2NO3 — CID 67419673

IUPAC[1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate
SMILESCC(C)CC(OC(=O)c1ccc(Cl)cc1)C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C27H27Cl2NO3/c1-18(2)16-25(33-27(32)21-10-14-23(29)15-11-21)24(19-6-4-3-5-7-19)17-30-26(31)20-8-12-22(28)13-9-20/h3-15,18,24-25H,16-17H2,1-2H3,(H,30,31)
InChIKeyDIPACNIWNUFHNF-UHFFFAOYSA-N
MW484.42 g/mol
LogP6.78
Rot. Bonds9

About [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate

[1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate (PubChem CID 67419673) has the molecular formula C27H27Cl2NO3 and a molecular weight of 484.42 g/mol. Its IUPAC name is [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate.

Molecular Properties

Compound Name[1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate
PubChem CID67419673
Molecular FormulaC27H27Cl2NO3
Molecular Weight484.42 g/mol
Exact Mass483.14
IUPAC Name[1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate
SMILESCC(C)CC(OC(=O)c1ccc(Cl)cc1)C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C27H27Cl2NO3/c1-18(2)16-25(33-27(32)21-10-14-23(29)15-11-21)24(19-6-4-3-5-7-19)17-30-26(31)20-8-12-22(28)13-9-20/h3-15,18,24-25H,16-17H2,1-2H3,(H,30,31)
InChIKeyDIPACNIWNUFHNF-UHFFFAOYSA-N
XLogP6.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.42
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate with MolForge

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Related Compounds

N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900
[4-[[(4-chlorobenzoyl)amino]methyl]-5,5-dimethylhexan-3-yl] 4-chlorobenzoate
CID 67419476
[5-[[(4-chlorobenzoyl)amino]methyl]-2,7-dimethyl-5-(2-methylpropyl)octan-4-yl] 4-chlorobenzoate
CID 67419489
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
N-(2-bromo-4-methylpentyl)benzamide
CID 107157861
[1-[(4-fluorobenzoyl)amino]-4-phenylpentan-3-yl] 4-fluorobenzoate
CID 67418540
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
[(1R)-3-methyl-1-phenylbutyl] benzoate
CID 15503412
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[2-(4-chlorobenzoyl)oxy-2-phenylethyl]-dimethyl-propan-2-ylazanium
CID 24833241
tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 20814870

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate?
The IUPAC name of [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate (CID 67419673) is [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate.
What is the SMILES notation for [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate?
The canonical SMILES for [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate is CC(C)CC(OC(=O)c1ccc(Cl)cc1)C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate?
The InChIKey is DIPACNIWNUFHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2NO3/c1-18(2)16-25(33-27(32)21-10-14-23(29)15-11-21)24(19-6-4-3-5-7-19)17-30-26(31)20-8-12-22(28)13-9-20/h3-15,18,24-25H,16-17H2,1-2H3,(H,30,31).
What are the key properties of [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate?
[1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate has a molecular weight of 484.42 g/mol, XLogP of 6.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorobenzoyl)amino]-5-methyl-2-phenylhexan-3-yl] 4-chlorobenzoate is sourced from PubChem (CID 67419673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).