5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide

C14H17ClN2O2 — CID 54988535

IUPAC5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN2O2/c1-4-17(9-10(2)8-16)14(18)12-7-11(15)5-6-13(12)19-3/h5-7,10H,4,9H2,1-3H3
InChIKeyFJVBWAAMWDKUJW-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.97
Rot. Bonds5

About 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide

5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide (PubChem CID 54988535) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
PubChem CID54988535
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
SMILESCCN(CC(C)C#N)C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H17ClN2O2/c1-4-17(9-10(2)8-16)14(18)12-7-11(15)5-6-13(12)19-3/h5-7,10H,4,9H2,1-3H3
InChIKeyFJVBWAAMWDKUJW-UHFFFAOYSA-N
XLogP2.97
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methoxybenzamide
CID 104782607
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
3-[(4-chloro-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62827749
3-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 43157301
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide (CID 54988535) is 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide is CCN(CC(C)C#N)C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide?
The InChIKey is FJVBWAAMWDKUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-17(9-10(2)8-16)14(18)12-7-11(15)5-6-13(12)19-3/h5-7,10H,4,9H2,1-3H3.
What are the key properties of 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide?
5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide has a molecular weight of 280.75 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 54988535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).