N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide

C23H28ClFN2O3 — CID 132712669

IUPACN-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
SMILESCc1cc(OCC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C23H28ClFN2O3/c1-15-12-19(10-11-20(15)24)30-14-21(28)27(13-17-6-8-18(25)9-7-17)16(2)22(29)26-23(3,4)5/h6-12,16H,13-14H2,1-5H3,(H,26,29)
InChIKeyGIDKUCATXBUCNY-UHFFFAOYSA-N
MW434.94 g/mol
LogP4.50
Rot. Bonds7

About N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide

N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide (PubChem CID 132712669) has the molecular formula C23H28ClFN2O3 and a molecular weight of 434.94 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
PubChem CID132712669
Molecular FormulaC23H28ClFN2O3
Molecular Weight434.94 g/mol
Exact Mass434.18
IUPAC NameN-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
SMILESCc1cc(OCC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NC(C)(C)C)ccc1Cl
InChIInChI=1S/C23H28ClFN2O3/c1-15-12-19(10-11-20(15)24)30-14-21(28)27(13-17-6-8-18(25)9-7-17)16(2)22(29)26-23(3,4)5/h6-12,16H,13-14H2,1-5H3,(H,26,29)
InChIKeyGIDKUCATXBUCNY-UHFFFAOYSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 132709167
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132612425
2-[(4-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146340
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]propanamide
CID 132711807
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 132709165
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 100713909
2-[benzyl-[2-(4-bromo-3-methylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 132719999
N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133262812
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide
CID 132718318
2-[(3,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132672268
N-tert-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132714720
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100573120

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide (CID 132712669) is N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide is Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)C(C)C(=O)NC(C)(C)C)ccc1Cl.
What is the InChIKey of N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
The InChIKey is GIDKUCATXBUCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O3/c1-15-12-19(10-11-20(15)24)30-14-21(28)27(13-17-6-8-18(25)9-7-17)16(2)22(29)26-23(3,4)5/h6-12,16H,13-14H2,1-5H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide?
N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide has a molecular weight of 434.94 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 132712669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).