5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide

C15H22ClN3O3 — CID 108572238

IUPAC5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClN3O3/c1-4-19(5-2)15(21)18-9-8-17-14(20)12-10-11(16)6-7-13(12)22-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLAYDCFCYWNJXKX-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.13
Rot. Bonds7

About 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide

5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide (PubChem CID 108572238) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
PubChem CID108572238
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)NCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H22ClN3O3/c1-4-19(5-2)15(21)18-9-8-17-14(20)12-10-11(16)6-7-13(12)22-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLAYDCFCYWNJXKX-UHFFFAOYSA-N
XLogP2.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.13
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

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CID 4632919
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5-chloro-N-hexyl-2-methoxybenzamide
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5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
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5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
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5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide (CID 108572238) is 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide is CCN(CC)C(=O)NCCNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide?
The InChIKey is LAYDCFCYWNJXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-4-19(5-2)15(21)18-9-8-17-14(20)12-10-11(16)6-7-13(12)22-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide?
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide has a molecular weight of 327.81 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108572238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).