2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide

C12H17ClN2O2 — CID 110763480

IUPAC2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C)C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-12(16)10-5-4-9(17-3)8-11(10)13/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyFGIZAVMRYQLPFR-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.64
Rot. Bonds5

About 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide

2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide (PubChem CID 110763480) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
PubChem CID110763480
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C)C)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-12(16)10-5-4-9(17-3)8-11(10)13/h4-5,8H,6-7H2,1-3H3,(H,14,16)
InChIKeyFGIZAVMRYQLPFR-UHFFFAOYSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510
1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
CID 139892440
2-chloro-N-[2-(dimethylamino)ethyl]-4-(methanesulfonamido)benzamide
CID 43908500
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 110763497
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
4-[4-(4-acetylphenoxy)butanoylamino]-2-chloro-N-[2-(dimethylamino)ethyl]benzamide
CID 71911956
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
1-(2-chloro-4-methoxyphenyl)-3-(methylamino)propan-1-one
CID 95447653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide (CID 110763480) is 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
The InChIKey is FGIZAVMRYQLPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(2)7-6-14-12(16)10-5-4-9(17-3)8-11(10)13/h4-5,8H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide?
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide has a molecular weight of 256.73 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 110763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).