3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide

C13H18ClNO2 — CID 1250371

IUPAC3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-17-12-6-5-10(7-11(12)14)13(16)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyGCFOIMCKMXHATP-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.12
Rot. Bonds5

About 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide

3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide (PubChem CID 1250371) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
PubChem CID1250371
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-17-12-6-5-10(7-11(12)14)13(16)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyGCFOIMCKMXHATP-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051
1-(3-chloro-4-ethoxyphenyl)-2-(ethylamino)propan-1-one
CID 112512675
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
3-chloro-4-ethoxybenzoate
CID 6927202
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide (CID 1250371) is 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide is CCOc1ccc(C(=O)NCC(C)C)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is GCFOIMCKMXHATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-17-12-6-5-10(7-11(12)14)13(16)15-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide?
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 255.74 g/mol, XLogP of 3.12, 5 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-(2-methylpropyl)benzamide is sourced from PubChem (CID 1250371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).