N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide

C16H25ClN2O — CID 102905399

IUPACN-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
SMILESCC(C)C(CNCC(=O)Nc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-11(2)15(12(3)4)9-18-10-16(20)19-14-7-5-13(17)6-8-14/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyHLJQUVMHFBYMBM-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.80
Rot. Bonds7

About N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide

N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide (PubChem CID 102905399) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
PubChem CID102905399
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
SMILESCC(C)C(CNCC(=O)Nc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C16H25ClN2O/c1-11(2)15(12(3)4)9-18-10-16(20)19-14-7-5-13(17)6-8-14/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyHLJQUVMHFBYMBM-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-(2-ethylbutylamino)acetamide
CID 115592340
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
N-(4-chlorophenyl)-2-[(2-hydroxy-2-phenylethyl)amino]acetamide
CID 43389783
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
6-[[2-(4-chloroanilino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289552
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
CID 103698697
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide (CID 102905399) is N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide is CC(C)C(CNCC(=O)Nc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
The InChIKey is HLJQUVMHFBYMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-11(2)15(12(3)4)9-18-10-16(20)19-14-7-5-13(17)6-8-14/h5-8,11-12,15,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide?
N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide has a molecular weight of 296.84 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide is sourced from PubChem (CID 102905399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).