2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide

C22H26Cl2N2O2 — CID 133150710

IUPAC2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(Cc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C22H26Cl2N2O2/c1-4-21(27)26(14-17-10-11-18(23)13-19(17)24)20(22(28)25-15(2)3)12-16-8-6-5-7-9-16/h5-11,13,15,20H,4,12,14H2,1-3H3,(H,25,28)
InChIKeyQEXXBHBBUFLQQP-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.87
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide

2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133150710) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID133150710
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccc(Cl)cc1Cl)C(Cc1ccccc1)C(=O)NC(C)C
InChIInChI=1S/C22H26Cl2N2O2/c1-4-21(27)26(14-17-10-11-18(23)13-19(17)24)20(22(28)25-15(2)3)12-16-8-6-5-7-9-16/h5-11,13,15,20H,4,12,14H2,1-3H3,(H,25,28)
InChIKeyQEXXBHBBUFLQQP-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100534320
(2S)-2-[[2-(2,6-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100534433
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173889
2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133150682
2-[(2-chlorophenyl)methyl-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133192643
(2R)-2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100532599
(2S)-2-[(3-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100500979
(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100533331
2-[(2,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133150669
(2R)-2-[[2-(2-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100532669
(2S)-2-[(2,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100533468
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133258022

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide (CID 133150710) is 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide is CCC(=O)N(Cc1ccc(Cl)cc1Cl)C(Cc1ccccc1)C(=O)NC(C)C.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is QEXXBHBBUFLQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-4-21(27)26(14-17-10-11-18(23)13-19(17)24)20(22(28)25-15(2)3)12-16-8-6-5-7-9-16/h5-11,13,15,20H,4,12,14H2,1-3H3,(H,25,28).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide?
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 421.37 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-propanoylamino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133150710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).