2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide

C14H18BrNO2 — CID 114328289

IUPAC2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C14H18BrNO2/c1-14(2,15)13(18)16(11-6-7-11)9-10-4-3-5-12(17)8-10/h3-5,8,11,17H,6-7,9H2,1-2H3
InChIKeyHNBTWVWTWNBKPB-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.06
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide

2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide (PubChem CID 114328289) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
PubChem CID114328289
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
SMILESCC(C)(Br)C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C14H18BrNO2/c1-14(2,15)13(18)16(11-6-7-11)9-10-4-3-5-12(17)8-10/h3-5,8,11,17H,6-7,9H2,1-2H3
InChIKeyHNBTWVWTWNBKPB-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 60956180
acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide
CID 171992334
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
CID 103801005
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
CID 106853582
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 79388375

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide (CID 114328289) is 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide is CC(C)(Br)C(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is HNBTWVWTWNBKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-14(2,15)13(18)16(11-6-7-11)9-10-4-3-5-12(17)8-10/h3-5,8,11,17H,6-7,9H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide?
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 114328289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).