2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide

C20H24ClNO2 — CID 100521910

IUPAC2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClNO2/c1-14(2)24-17-9-7-16(8-10-17)5-4-12-22-20(23)18-11-6-15(3)13-19(18)21/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyBISYDLBGPZYJKX-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.80
Rot. Bonds7

About 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide

2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide (PubChem CID 100521910) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
PubChem CID100521910
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H24ClNO2/c1-14(2)24-17-9-7-16(8-10-17)5-4-12-22-20(23)18-11-6-15(3)13-19(18)21/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyBISYDLBGPZYJKX-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132655449
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
2-chloro-N-(3-methylbutyl)-4-propan-2-yloxybenzamide
CID 142077202
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
CID 100529695
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide (CID 100521910) is 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide is Cc1ccc(C(=O)NCCCc2ccc(OC(C)C)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
The InChIKey is BISYDLBGPZYJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-14(2)24-17-9-7-16(8-10-17)5-4-12-22-20(23)18-11-6-15(3)13-19(18)21/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide?
2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide has a molecular weight of 345.87 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide is sourced from PubChem (CID 100521910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).