N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide

C12H14ClF2NO — CID 114301835

IUPACN-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide
SMILESCC(Cl)CCNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H14ClF2NO/c1-8(13)4-5-16-12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyJUFCIKMXHSVFSC-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.64
Rot. Bonds5

About N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide

N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 114301835) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide
PubChem CID114301835
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC NameN-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide
SMILESCC(Cl)CCNC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H14ClF2NO/c1-8(13)4-5-16-12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,16,17)
InChIKeyJUFCIKMXHSVFSC-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)-2-(3,4-difluorophenyl)acetamide
CID 106122221
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
N-(6-bromohexyl)-2-(3,4-difluorophenyl)acetamide
CID 107847518
2-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 120526546
N-[2-(1-chloroethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114304849
N-[2-(2-bromoethyl)pentyl]-2-(3,4-difluorophenyl)acetamide
CID 106117964
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide (CID 114301835) is N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide is CC(Cl)CCNC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is JUFCIKMXHSVFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-8(13)4-5-16-12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6,8H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide?
N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 261.70 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 114301835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).