2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide

C23H28ClFN2O3 — CID 132712641

IUPAC2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C23H28ClFN2O3/c1-4-21(23(29)26-13-16(2)3)27(14-17-7-5-6-8-20(17)24)22(28)15-30-19-11-9-18(25)10-12-19/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyASFWMPXIDZFWFF-UHFFFAOYSA-N
MW434.94 g/mol
LogP4.44
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide

2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide (PubChem CID 132712641) has the molecular formula C23H28ClFN2O3 and a molecular weight of 434.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
PubChem CID132712641
Molecular FormulaC23H28ClFN2O3
Molecular Weight434.94 g/mol
Exact Mass434.18
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C23H28ClFN2O3/c1-4-21(23(29)26-13-16(2)3)27(14-17-7-5-6-8-20(17)24)22(28)15-30-19-11-9-18(25)10-12-19/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29)
InChIKeyASFWMPXIDZFWFF-UHFFFAOYSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methylbutanamide
CID 132659708
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132721004
2-[(2-chlorophenyl)methyl-[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132753394
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)propanamide
CID 132705911
2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132671217
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100688005
(2S)-2-[(2-chlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-propylbutanamide
CID 100569035
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylbutanamide
CID 132675451
N-butyl-2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]butanamide
CID 132711777
(2R)-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 100502360
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132733629
N-butyl-2-[(2-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]butanamide
CID 132736841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide (CID 132712641) is 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide is CCC(C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
The InChIKey is ASFWMPXIDZFWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O3/c1-4-21(23(29)26-13-16(2)3)27(14-17-7-5-6-8-20(17)24)22(28)15-30-19-11-9-18(25)10-12-19/h5-12,16,21H,4,13-15H2,1-3H3,(H,26,29).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide?
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide has a molecular weight of 434.94 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 132712641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).