4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide

C18H20ClNO3 — CID 17141302

IUPAC4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-14-7-10-17(22-3)16(19)11-14/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyZXXQYOBZWRWVIZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.78
Rot. Bonds6

About 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide

4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide (PubChem CID 17141302) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
PubChem CID17141302
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-14-7-10-17(22-3)16(19)11-14/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyZXXQYOBZWRWVIZ-UHFFFAOYSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide
CID 40625135
4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
2-methylpropyl 2-[4-[(3-chloro-4-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 4245145
N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 44637774
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3645366
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide (CID 17141302) is 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide?
The InChIKey is ZXXQYOBZWRWVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-14-7-10-17(22-3)16(19)11-14/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide?
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide has a molecular weight of 333.82 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 17141302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).