3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide

C14H18Cl2N2O3 — CID 134049590

IUPAC3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCCNC(=O)C(C)C)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)13(19)17-4-5-18-14(20)9-6-10(15)12(21-3)11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySZIIWIWXTKYNSU-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.50
Rot. Bonds6

About 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide

3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide (PubChem CID 134049590) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
PubChem CID134049590
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCOc1c(Cl)cc(C(=O)NCCNC(=O)C(C)C)cc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-8(2)13(19)17-4-5-18-14(20)9-6-10(15)12(21-3)11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20)
InChIKeySZIIWIWXTKYNSU-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
3,5-dichloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 65112037
3,5-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)-4-methoxybenzamide
CID 63294592
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763
2-[[(3,5-dichloro-4-methoxybenzoyl)amino]methyl]pentanoic acid
CID 65218880

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide (CID 134049590) is 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide is COc1c(Cl)cc(C(=O)NCCNC(=O)C(C)C)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The InChIKey is SZIIWIWXTKYNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-8(2)13(19)17-4-5-18-14(20)9-6-10(15)12(21-3)11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide has a molecular weight of 333.22 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 134049590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).