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

C18H20ClNO2 — CID 12941943

IUPAC3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
SMILESCc1cc(Oc2cccc(C(=O)NCC(C)C)c2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12(2)11-20-18(21)14-5-4-6-15(10-14)22-16-7-8-17(19)13(3)9-16/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyLVWKMHQLPOEHGD-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.83
Rot. Bonds5

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

3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide (PubChem CID 12941943) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
PubChem CID12941943
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
SMILESCc1cc(Oc2cccc(C(=O)NCC(C)C)c2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-12(2)11-20-18(21)14-5-4-6-15(10-14)22-16-7-8-17(19)13(3)9-16/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyLVWKMHQLPOEHGD-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-[(2-chloro-6-fluorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176414
3-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]benzamide
CID 113102716
3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
CID 111469744
4-chloro-N-(2-cyanopropyl)-3-methylbenzamide
CID 112699238
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 56757268
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide (CID 12941943) is 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide is Cc1cc(Oc2cccc(C(=O)NCC(C)C)c2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide?
The InChIKey is LVWKMHQLPOEHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(2)11-20-18(21)14-5-4-6-15(10-14)22-16-7-8-17(19)13(3)9-16/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide?
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 12941943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).