5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide

C13H19ClN2O2 — CID 62659575

IUPAC5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(2)15-6-7-16-13(17)11-8-10(14)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyRGIFBXAQYYLQTI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.08
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 62659575) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
PubChem CID62659575
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(2)15-6-7-16-13(17)11-8-10(14)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyRGIFBXAQYYLQTI-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.08
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 885064
1-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94271591
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
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CID 108540873
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5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
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5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide (CID 62659575) is 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCNC(C)C.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is RGIFBXAQYYLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)15-6-7-16-13(17)11-8-10(14)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 270.76 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 62659575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).