N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide

C13H17ClFNO2 — CID 107016692

IUPACN-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H17ClFNO2/c1-9(2)16(7-3-6-14)13(18)11-5-4-10(15)8-12(11)17/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyOOEYUCVZSURGMY-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.01
Rot. Bonds5

About N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide

N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide (PubChem CID 107016692) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
PubChem CID107016692
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC NameN-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CCCCl)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H17ClFNO2/c1-9(2)16(7-3-6-14)13(18)11-5-4-10(15)8-12(11)17/h4-5,8-9,17H,3,6-7H2,1-2H3
InChIKeyOOEYUCVZSURGMY-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
N-(2-chloroethyl)-2-hydroxy-4-methyl-N-propan-2-ylbenzamide
CID 63393752
N-(3-chloropropyl)-2-fluoro-N-propan-2-ylbenzamide
CID 63390556
4-[(2-chloro-4-fluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60830756
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
2-bromo-4-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038650
2-chloro-N-(3-chloropropyl)-3-fluoro-N-propan-2-ylbenzamide
CID 81461932
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528
N-(3-chloropropyl)-2-ethoxy-N-propan-2-ylbenzamide
CID 63391137
2-bromo-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61038774

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide (CID 107016692) is N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide is CC(C)N(CCCCl)C(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is OOEYUCVZSURGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-9(2)16(7-3-6-14)13(18)11-5-4-10(15)8-12(11)17/h4-5,8-9,17H,3,6-7H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide?
N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 273.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-4-fluoro-2-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 107016692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).