N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide

C11H14ClFN2O — CID 117044863

IUPACN-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
SMILESCC(N)CN(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2O/c1-7(14)6-15(2)11(16)9-5-8(12)3-4-10(9)13/h3-5,7H,6,14H2,1-2H3
InChIKeyUAZRKCMKDCGHJS-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.90
Rot. Bonds3

About N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide

N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide (PubChem CID 117044863) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
PubChem CID117044863
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC NameN-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
SMILESCC(N)CN(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFN2O/c1-7(14)6-15(2)11(16)9-5-8(12)3-4-10(9)13/h3-5,7H,6,14H2,1-2H3
InChIKeyUAZRKCMKDCGHJS-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
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5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
CID 117044877
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
N-(2-aminopropyl)-2,5-dihydroxy-N-methylbenzamide
CID 107726322
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide?
The IUPAC name of N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide (CID 117044863) is N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide is CC(N)CN(C)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide?
The InChIKey is UAZRKCMKDCGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-7(14)6-15(2)11(16)9-5-8(12)3-4-10(9)13/h3-5,7H,6,14H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide?
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide has a molecular weight of 244.70 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 117044863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).