2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide

C19H21ClN2O4 — CID 8935033

IUPAC2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-25-14-6-8-15(9-7-14)26-13-12-21-18(23)10-11-22-19(24)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyKZVUTDBMFJOEPG-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.66
Rot. Bonds9

About 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide

2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide (PubChem CID 8935033) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
PubChem CID8935033
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O4/c1-25-14-6-8-15(9-7-14)26-13-12-21-18(23)10-11-22-19(24)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyKZVUTDBMFJOEPG-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
2-chloro-N-[2-[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111409987
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109021354
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464
2-azido-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 169325921
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide (CID 8935033) is 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide is COc1ccc(OCCNC(=O)CCNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is KZVUTDBMFJOEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-14-6-8-15(9-7-14)26-13-12-21-18(23)10-11-22-19(24)16-4-2-3-5-17(16)20/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 8935033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).