3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide

C17H26ClNO3 — CID 134058516

IUPAC3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(C)CC(C)C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C17H26ClNO3/c1-11(2)9-19(5)17(20)13-7-14(18)16(15(8-13)21-6)22-10-12(3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyIKGDKTXACJVFGN-UHFFFAOYSA-N
MW327.85 g/mol
LogP4.11
Rot. Bonds7

About 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide

3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide (PubChem CID 134058516) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
PubChem CID134058516
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
SMILESCOc1cc(C(=O)N(C)CC(C)C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C17H26ClNO3/c1-11(2)9-19(5)17(20)13-7-14(18)16(15(8-13)21-6)22-10-12(3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKeyIKGDKTXACJVFGN-UHFFFAOYSA-N
XLogP4.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
3-[(4-butoxy-3-chloro-5-methoxybenzoyl)-methylamino]-2-methylpropanoic acid
CID 122111871
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 9439299
N-(2-aminopropyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 63755028
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperidin-1-ylmethanone
CID 112759339
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 56566598
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 41276636
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide (CID 134058516) is 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide is COc1cc(C(=O)N(C)CC(C)C)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide?
The InChIKey is IKGDKTXACJVFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c1-11(2)9-19(5)17(20)13-7-14(18)16(15(8-13)21-6)22-10-12(3)4/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide?
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide has a molecular weight of 327.85 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 134058516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).