N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide

C18H17BrFNO — CID 60526454

IUPACN-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H17BrFNO/c19-16-10-14(6-9-17(16)20)11-18(22)21(15-7-8-15)12-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12H2
InChIKeyCISYHJZPPDVDAK-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.32
Rot. Bonds5

About N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide

N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide (PubChem CID 60526454) has the molecular formula C18H17BrFNO and a molecular weight of 362.24 g/mol. Its IUPAC name is N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide
PubChem CID60526454
Molecular FormulaC18H17BrFNO
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC NameN-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H17BrFNO/c19-16-10-14(6-9-17(16)20)11-18(22)21(15-7-8-15)12-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12H2
InChIKeyCISYHJZPPDVDAK-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
N-benzyl-2-(3-bromo-4-fluorophenyl)-N-prop-2-enylacetamide
CID 55873125
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553066
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 39968072
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895
3-[2-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690673
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide?
The IUPAC name of N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide (CID 60526454) is N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide.
What is the SMILES notation for N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide?
The canonical SMILES for N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide is O=C(Cc1ccc(F)c(Br)c1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide?
The InChIKey is CISYHJZPPDVDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO/c19-16-10-14(6-9-17(16)20)11-18(22)21(15-7-8-15)12-13-4-2-1-3-5-13/h1-6,9-10,15H,7-8,11-12H2.
What are the key properties of N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide?
N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide has a molecular weight of 362.24 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-bromo-4-fluorophenyl)-N-cyclopropylacetamide is sourced from PubChem (CID 60526454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).