4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide

C19H21Cl2NO3 — CID 7973201

IUPAC4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H21Cl2NO3/c1-3-4-9-25-18-16(21)10-14(11-17(18)24-2)19(23)22-12-13-7-5-6-8-15(13)20/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyCIVJITKAZVSCKX-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.11
Rot. Bonds8

About 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide

4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide (PubChem CID 7973201) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
PubChem CID7973201
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCc2ccccc2Cl)cc1OC
InChIInChI=1S/C19H21Cl2NO3/c1-3-4-9-25-18-16(21)10-14(11-17(18)24-2)19(23)22-12-13-7-5-6-8-15(13)20/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyCIVJITKAZVSCKX-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170
4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419081
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide?
The IUPAC name of 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide (CID 7973201) is 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide is CCCCOc1c(Cl)cc(C(=O)NCc2ccccc2Cl)cc1OC.
What is the InChIKey of 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide?
The InChIKey is CIVJITKAZVSCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-3-4-9-25-18-16(21)10-14(11-17(18)24-2)19(23)22-12-13-7-5-6-8-15(13)20/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,23).
What are the key properties of 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide?
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide has a molecular weight of 382.29 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 7973201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).