4-chloro-N-ethyl-3-methylbenzamide

C10H12ClNO — CID 18712033

IUPAC4-chloro-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H12ClNO/c1-3-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyFNJUKUMJPUYVBN-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.40
Rot. Bonds2

About 4-chloro-N-ethyl-3-methylbenzamide

4-chloro-N-ethyl-3-methylbenzamide (PubChem CID 18712033) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 4-chloro-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-3-methylbenzamide
PubChem CID18712033
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name4-chloro-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C10H12ClNO/c1-3-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyFNJUKUMJPUYVBN-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
4-chloro-N-(2-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 103760453
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
N-[2-(bromomethyl)-2-ethylbutyl]-4-chloro-3-methylbenzamide
CID 106255744
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
2-chloro-5-(ethylcarbamoyl)benzenesulfinate
CID 118965964
N-(4-bromo-2,2-dimethylbutyl)-4-chloro-3-methylbenzamide
CID 114149501
4-chloro-N-(2-cyanopropyl)-3-methylbenzamide
CID 112699238
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
CID 115736978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-chloro-N-ethyl-3-methylbenzamide (CID 18712033) is 4-chloro-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-ethyl-3-methylbenzamide?
The InChIKey is FNJUKUMJPUYVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-12-10(13)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-N-ethyl-3-methylbenzamide?
4-chloro-N-ethyl-3-methylbenzamide has a molecular weight of 197.66 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 18712033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).