N-(3-aminobutyl)-2-chloro-4-fluorobenzamide

C11H14ClFN2O — CID 63254096

IUPACN-(3-aminobutyl)-2-chloro-4-fluorobenzamide
SMILESCC(N)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(14)4-5-15-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyXMDWZVZIMHDVII-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.95
Rot. Bonds4

About N-(3-aminobutyl)-2-chloro-4-fluorobenzamide

N-(3-aminobutyl)-2-chloro-4-fluorobenzamide (PubChem CID 63254096) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-chloro-4-fluorobenzamide
PubChem CID63254096
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC NameN-(3-aminobutyl)-2-chloro-4-fluorobenzamide
SMILESCC(N)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H14ClFN2O/c1-7(14)4-5-15-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyXMDWZVZIMHDVII-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
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2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
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CID 17144545
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
ethyl N-[1-[(2-chloro-4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 42959646
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(3-aminobutyl)-2-chloro-4-fluorobenzamide (CID 63254096) is N-(3-aminobutyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-chloro-4-fluorobenzamide is CC(N)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(3-aminobutyl)-2-chloro-4-fluorobenzamide?
The InChIKey is XMDWZVZIMHDVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(14)4-5-15-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-2-chloro-4-fluorobenzamide?
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide has a molecular weight of 244.70 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 63254096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).