3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide

C19H22ClNO2 — CID 133256897

IUPAC3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(CC)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c1-4-14-6-8-15(9-7-14)13(3)21-19(22)16-10-11-18(23-5-2)17(20)12-16/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyMHFCOEQZYOUAJJ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.79
Rot. Bonds6

About 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide

3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 133256897) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
PubChem CID133256897
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc(CC)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c1-4-14-6-8-15(9-7-14)13(3)21-19(22)16-10-11-18(23-5-2)17(20)12-16/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyMHFCOEQZYOUAJJ-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-nitrobenzamide
CID 17326814
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide (CID 133256897) is 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide is CCOc1ccc(C(=O)NC(C)c2ccc(CC)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is MHFCOEQZYOUAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-14-6-8-15(9-7-14)13(3)21-19(22)16-10-11-18(23-5-2)17(20)12-16/h6-13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide?
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 331.84 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 133256897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).