N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide

C14H18BrNO — CID 140734065

IUPACN-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)C(CBr)C1CC1
InChIInChI=1S/C14H18BrNO/c1-11(17)16(14(9-15)13-7-8-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3
InChIKeyUPVDMMCOSQRVEE-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.21
Rot. Bonds5

About N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide

N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide (PubChem CID 140734065) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide
PubChem CID140734065
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide
SMILESCC(=O)N(Cc1ccccc1)C(CBr)C1CC1
InChIInChI=1S/C14H18BrNO/c1-11(17)16(14(9-15)13-7-8-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3
InChIKeyUPVDMMCOSQRVEE-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624
N-benzyl-N-[(2R,3R)-4-bromo-1,1,1-trifluoro-3-hydroxybutan-2-yl]acetamide
CID 11291164
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
N-benzyl-N-[methoxy(phenyl)methyl]acetamide
CID 102127516
N-benzyl-2-(4-bromophenyl)-N-(1-cyclopropylethyl)acetamide
CID 60592231
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
N-benzyl-N-(1-cyclopropylethyl)pentanamide
CID 78805275
N-benzyl-N-(1-cyclopropylethyl)-4-hydroxypentanamide
CID 79200111

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide?
The IUPAC name of N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide (CID 140734065) is N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide.
What is the SMILES notation for N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide?
The canonical SMILES for N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide is CC(=O)N(Cc1ccccc1)C(CBr)C1CC1.
What is the InChIKey of N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide?
The InChIKey is UPVDMMCOSQRVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-11(17)16(14(9-15)13-7-8-13)10-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3.
What are the key properties of N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide?
N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide has a molecular weight of 296.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromo-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 140734065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).