4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide

C12H17BrN2O — CID 115155319

IUPAC4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
SMILESCc1ccc(Br)cc1CNC(=O)CCCN
InChIInChI=1S/C12H17BrN2O/c1-9-4-5-11(13)7-10(9)8-15-12(16)3-2-6-14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeyXDZWAXXILRKBER-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.11
Rot. Bonds5

About 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide

4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide (PubChem CID 115155319) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
PubChem CID115155319
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
SMILESCc1ccc(Br)cc1CNC(=O)CCCN
InChIInChI=1S/C12H17BrN2O/c1-9-4-5-11(13)7-10(9)8-15-12(16)3-2-6-14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16)
InChIKeyXDZWAXXILRKBER-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
N-[(5-bromo-2-methylphenyl)methyl]-3-oxobutanamide
CID 115176428
ethyl 3-[(5-bromo-2-methylphenyl)methylamino]-3-oxopropanoate
CID 115138564
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
CID 119313649
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095
5-[2-(5-bromo-2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 115163884
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003
4-amino-N-[(3-methyl-4-pyridinyl)methyl]butanamide
CID 114700223
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide (CID 115155319) is 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide is Cc1ccc(Br)cc1CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide?
The InChIKey is XDZWAXXILRKBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-4-5-11(13)7-10(9)8-15-12(16)3-2-6-14/h4-5,7H,2-3,6,8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide?
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide has a molecular weight of 285.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 115155319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).