N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide

C11H14ClFN2O — CID 82880148

IUPACN-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-15(6-2-5-14)11(16)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6,14H2,1H3
InChIKeyYVAAPIAZTCRTBX-UHFFFAOYSA-N
MW244.70 g/mol
LogP1.90
Rot. Bonds4

About N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide

N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide (PubChem CID 82880148) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
PubChem CID82880148
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC NameN-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-15(6-2-5-14)11(16)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6,14H2,1H3
InChIKeyYVAAPIAZTCRTBX-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880057
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955
N-[2-(2-bromoethoxy)ethyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 114242832
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
4-chloro-N-[4-(dimethylamino)butyl]-N-methylbenzamide
CID 154838385
N-[(3-bromocyclobutyl)methyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82878533
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91768563
1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone
CID 126971234

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide (CID 82880148) is N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide is CN(CCCN)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide?
The InChIKey is YVAAPIAZTCRTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-15(6-2-5-14)11(16)8-3-4-10(13)9(12)7-8/h3-4,7H,2,5-6,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide?
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide has a molecular weight of 244.70 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 82880148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).