N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide

C20H23ClN2O5 — CID 3608171

IUPACN-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCCCO)cc1OC
InChIInChI=1S/C20H23ClN2O5/c1-27-17-8-5-13(11-18(17)28-2)19(25)23-16-7-6-14(21)12-15(16)20(26)22-9-3-4-10-24/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyUOZSODUPCUSCOG-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.11
Rot. Bonds9

About N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide

N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 3608171) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide
PubChem CID3608171
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC NameN-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCCCO)cc1OC
InChIInChI=1S/C20H23ClN2O5/c1-27-17-8-5-13(11-18(17)28-2)19(25)23-16-7-6-14(21)12-15(16)20(26)22-9-3-4-10-24/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyUOZSODUPCUSCOG-UHFFFAOYSA-N
XLogP3.11
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
N-[4-chloro-2-[[(4-methylphenyl)methylideneamino]carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 66637861
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methoxybenzamide
CID 103767358
4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-N-pentylbenzamide
CID 7964266
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
N-[5-chloro-2-(propylcarbamoyl)phenyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55894721

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide (CID 3608171) is N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCCCO)cc1OC.
What is the InChIKey of N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is UOZSODUPCUSCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-27-17-8-5-13(11-18(17)28-2)19(25)23-16-7-6-14(21)12-15(16)20(26)22-9-3-4-10-24/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide?
N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 406.87 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(4-hydroxybutylcarbamoyl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3608171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).