2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide

C13H16Cl2FNO — CID 81461932

IUPAC2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H16Cl2FNO/c1-9(2)17(8-4-7-14)13(18)10-5-3-6-11(16)12(10)15/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyCPZTWYZNPSWRKU-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.96
Rot. Bonds5

About 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide

2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide (PubChem CID 81461932) has the molecular formula C13H16Cl2FNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
PubChem CID81461932
Molecular FormulaC13H16Cl2FNO
Molecular Weight292.18 g/mol
Exact Mass291.06
IUPAC Name2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H16Cl2FNO/c1-9(2)17(8-4-7-14)13(18)10-5-3-6-11(16)12(10)15/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyCPZTWYZNPSWRKU-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.96
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-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
CID 107016692
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
2-chloro-3-fluoro-N,N-dimethylbenzamide
CID 57234037
N-(2-bromoethyl)-2,3-dichloro-N-propan-2-ylbenzamide
CID 80665677
N-(2-chloroethyl)-2-methylsulfanyl-N-propan-2-ylbenzamide
CID 79206105
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
CID 107097730
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide?
The IUPAC name of 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide (CID 81461932) is 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide?
The canonical SMILES for 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide is CC(C)N(CCCCl)C(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide?
The InChIKey is CPZTWYZNPSWRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2FNO/c1-9(2)17(8-4-7-14)13(18)10-5-3-6-11(16)12(10)15/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide?
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide has a molecular weight of 292.18 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide is sourced from PubChem (CID 81461932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).