5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide

C15H18BrClFNO — CID 107909248

IUPAC5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
SMILESO=C(CCCCBr)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H18BrClFNO/c16-9-2-1-6-15(20)19(11-7-8-11)10-12-13(17)4-3-5-14(12)18/h3-5,11H,1-2,6-10H2
InChIKeyVHSBUDCAHQFYGD-UHFFFAOYSA-N
MW362.67 g/mol
LogP4.54
Rot. Bonds7

About 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide

5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide (PubChem CID 107909248) has the molecular formula C15H18BrClFNO and a molecular weight of 362.67 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
PubChem CID107909248
Molecular FormulaC15H18BrClFNO
Molecular Weight362.67 g/mol
Exact Mass361.02
IUPAC Name5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
SMILESO=C(CCCCBr)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C15H18BrClFNO/c16-9-2-1-6-15(20)19(11-7-8-11)10-12-13(17)4-3-5-14(12)18/h3-5,11H,1-2,6-10H2
InChIKeyVHSBUDCAHQFYGD-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.67
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 51315143
4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]amino]-N,N-dimethylbutanamide
CID 122568629
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78835530
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
CID 55756901
3-[[benzyl(methyl)carbamoyl]amino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpropanamide
CID 56516235
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46533951
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46533779
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
The IUPAC name of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide (CID 107909248) is 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide.
What is the SMILES notation for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
The canonical SMILES for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide is O=C(CCCCBr)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
The InChIKey is VHSBUDCAHQFYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFNO/c16-9-2-1-6-15(20)19(11-7-8-11)10-12-13(17)4-3-5-14(12)18/h3-5,11H,1-2,6-10H2.
What are the key properties of 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide?
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide has a molecular weight of 362.67 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide is sourced from PubChem (CID 107909248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).