N-(3-chloropropyl)-2,5-difluorobenzamide

C10H10ClF2NO — CID 43133472

IUPACN-(3-chloropropyl)-2,5-difluorobenzamide
SMILESO=C(NCCCCl)c1cc(F)ccc1F
InChIInChI=1S/C10H10ClF2NO/c11-4-1-5-14-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyQQVBLNNBAYGKEZ-UHFFFAOYSA-N
MW233.64 g/mol
LogP2.32
Rot. Bonds4

About N-(3-chloropropyl)-2,5-difluorobenzamide

N-(3-chloropropyl)-2,5-difluorobenzamide (PubChem CID 43133472) has the molecular formula C10H10ClF2NO and a molecular weight of 233.64 g/mol. Its IUPAC name is N-(3-chloropropyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2,5-difluorobenzamide
PubChem CID43133472
Molecular FormulaC10H10ClF2NO
Molecular Weight233.64 g/mol
Exact Mass233.04
IUPAC NameN-(3-chloropropyl)-2,5-difluorobenzamide
SMILESO=C(NCCCCl)c1cc(F)ccc1F
InChIInChI=1S/C10H10ClF2NO/c11-4-1-5-14-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyQQVBLNNBAYGKEZ-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
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

2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2,5-difluorobenzamide?
The IUPAC name of N-(3-chloropropyl)-2,5-difluorobenzamide (CID 43133472) is N-(3-chloropropyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-chloropropyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(3-chloropropyl)-2,5-difluorobenzamide is O=C(NCCCCl)c1cc(F)ccc1F.
What is the InChIKey of N-(3-chloropropyl)-2,5-difluorobenzamide?
The InChIKey is QQVBLNNBAYGKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c11-4-1-5-14-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,1,4-5H2,(H,14,15).
What are the key properties of N-(3-chloropropyl)-2,5-difluorobenzamide?
N-(3-chloropropyl)-2,5-difluorobenzamide has a molecular weight of 233.64 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2,5-difluorobenzamide is sourced from PubChem (CID 43133472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).