2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide

C14H19ClN2O2 — CID 113162680

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-10(2)16-14(19)9-17(11(3)18)8-12-4-6-13(15)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyYHEFSPUNPCOORG-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.21
Rot. Bonds5

About 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 113162680) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID113162680
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-10(2)16-14(19)9-17(11(3)18)8-12-4-6-13(15)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyYHEFSPUNPCOORG-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113163745
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 113162786
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 113162681
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113161549
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 24657890
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2-ethylphenyl)acetamide
CID 113162771
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 113054821
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-propan-2-ylpropanamide
CID 113139464

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide (CID 113162680) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide is CC(=O)N(CC(=O)NC(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is YHEFSPUNPCOORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(2)16-14(19)9-17(11(3)18)8-12-4-6-13(15)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 282.77 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113162680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).