2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide

C23H22ClN3O2 — CID 133237321

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C23H22ClN3O2/c1-17(28)27(16-19-7-9-21(24)10-8-19)22(20-5-3-2-4-6-20)23(29)26-15-18-11-13-25-14-12-18/h2-14,22H,15-16H2,1H3,(H,26,29)
InChIKeySYNLUXOVBUAIRP-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.14
Rot. Bonds7

About 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide

2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 133237321) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID133237321
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C23H22ClN3O2/c1-17(28)27(16-19-7-9-21(24)10-8-19)22(20-5-3-2-4-6-20)23(29)26-15-18-11-13-25-14-12-18/h2-14,22H,15-16H2,1H3,(H,26,29)
InChIKeySYNLUXOVBUAIRP-UHFFFAOYSA-N
XLogP4.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133238314
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
2-[benzyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237149
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 133149475
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenylacetamide
CID 133237535
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]-2-phenylacetamide
CID 133238116
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999
(2S)-2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 125046670
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(dimethylamino)-2-phenylacetamide
CID 110625358
N-benzyl-2-[(4-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 133237469
2-[(4-chlorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133237544

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide (CID 133237321) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(Cc1ccc(Cl)cc1)C(C(=O)NCc1ccncc1)c1ccccc1.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is SYNLUXOVBUAIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-17(28)27(16-19-7-9-21(24)10-8-19)22(20-5-3-2-4-6-20)23(29)26-15-18-11-13-25-14-12-18/h2-14,22H,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 407.90 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 133237321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).