N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide

C14H21BrN2O — CID 109005999

IUPACN-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O/c1-3-4-5-8-16-10-14(18)17-12-6-7-13(15)11(2)9-12/h6-7,9,16H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyBWTLPNNSXPYTFK-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.48
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide

N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide (PubChem CID 109005999) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
PubChem CID109005999
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
SMILESCCCCCNCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C14H21BrN2O/c1-3-4-5-8-16-10-14(18)17-12-6-7-13(15)11(2)9-12/h6-7,9,16H,3-5,8,10H2,1-2H3,(H,17,18)
InChIKeyBWTLPNNSXPYTFK-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
3-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466628
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-(4-bromo-3-methylphenyl)-2-[butyl(methyl)amino]acetamide
CID 109006163
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide (CID 109005999) is N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide is CCCCCNCC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide?
The InChIKey is BWTLPNNSXPYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-4-5-8-16-10-14(18)17-12-6-7-13(15)11(2)9-12/h6-7,9,16H,3-5,8,10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide?
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide is sourced from PubChem (CID 109005999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).