N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide

C11H15ClN2O2 — CID 106499987

IUPACN-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(6-2-5-13)11(16)9-7-8(15)3-4-10(9)12/h3-4,7,15H,2,5-6,13H2,1H3
InChIKeyVCGKQEYWMQKRGA-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.47
Rot. Bonds4

About N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide

N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide (PubChem CID 106499987) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
PubChem CID106499987
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
SMILESCN(CCCN)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(6-2-5-13)11(16)9-7-8(15)3-4-10(9)12/h3-4,7,15H,2,5-6,13H2,1H3
InChIKeyVCGKQEYWMQKRGA-UHFFFAOYSA-N
XLogP1.47
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106503278
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide (CID 106499987) is N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide is CN(CCCN)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide?
The InChIKey is VCGKQEYWMQKRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(6-2-5-13)11(16)9-7-8(15)3-4-10(9)12/h3-4,7,15H,2,5-6,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide?
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide has a molecular weight of 242.71 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide is sourced from PubChem (CID 106499987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).