4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide

C19H21Cl2NO3 — CID 12771069

IUPAC4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
SMILESCCCCOCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-2-3-11-24-12-13-25-15-9-7-14(8-10-15)19(23)22-17-6-4-5-16(20)18(17)21/h4-10H,2-3,11-13H2,1H3,(H,22,23)
InChIKeyORFSWKVCPFAPIR-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.44
Rot. Bonds9

About 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide

4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide (PubChem CID 12771069) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
PubChem CID12771069
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
SMILESCCCCOCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-2-3-11-24-12-13-25-15-9-7-14(8-10-15)19(23)22-17-6-4-5-16(20)18(17)21/h4-10H,2-3,11-13H2,1H3,(H,22,23)
InChIKeyORFSWKVCPFAPIR-UHFFFAOYSA-N
XLogP5.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.44
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

N-[(2,3-dichlorophenyl)carbamothioyl]-4-hexoxybenzamide
CID 4934038
4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
CID 4000816
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
N-(2,3-dichlorophenyl)-4-prop-2-ynoxybenzamide
CID 78843025
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
N-(2,3-dichlorophenyl)-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732993
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
4-propoxy-N-[5-[(4-propoxybenzoyl)amino]naphthalen-1-yl]benzamide
CID 4939588

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide?
The IUPAC name of 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide (CID 12771069) is 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide.
What is the SMILES notation for 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide?
The canonical SMILES for 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide is CCCCOCCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide?
The InChIKey is ORFSWKVCPFAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-2-3-11-24-12-13-25-15-9-7-14(8-10-15)19(23)22-17-6-4-5-16(20)18(17)21/h4-10H,2-3,11-13H2,1H3,(H,22,23).
What are the key properties of 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide?
4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide has a molecular weight of 382.29 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide is sourced from PubChem (CID 12771069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).