2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide

C17H23ClN2O3 — CID 18168914

IUPAC2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCCCOCC1CC1
InChIInChI=1S/C17H23ClN2O3/c18-15-5-2-1-4-14(15)17(22)20-10-8-16(21)19-9-3-11-23-12-13-6-7-13/h1-2,4-5,13H,3,6-12H2,(H,19,21)(H,20,22)
InChIKeyGOEZDGWIUCJBQI-UHFFFAOYSA-N
MW338.83 g/mol
LogP2.39
Rot. Bonds10

About 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide

2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide (PubChem CID 18168914) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
PubChem CID18168914
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC Name2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCCCOCC1CC1
InChIInChI=1S/C17H23ClN2O3/c18-15-5-2-1-4-14(15)17(22)20-10-8-16(21)19-9-3-11-23-12-13-6-7-13/h1-2,4-5,13H,3,6-12H2,(H,19,21)(H,20,22)
InChIKeyGOEZDGWIUCJBQI-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 52.39
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

2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
CID 47036707
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
2-anilino-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 25471927
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-nitrobenzamide
CID 60668843
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 18127231
ethyl 3-[3-[(2-chlorobenzoyl)amino]propanoylamino]propanoate
CID 91637595
N-[3-(cyclopropylmethoxy)propyl]-2-hydroxy-3-nitrobenzamide
CID 103746319
N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
CID 43583021
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide (CID 18168914) is 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NCCCOCC1CC1.
What is the InChIKey of 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide?
The InChIKey is GOEZDGWIUCJBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-15-5-2-1-4-14(15)17(22)20-10-8-16(21)19-9-3-11-23-12-13-6-7-13/h1-2,4-5,13H,3,6-12H2,(H,19,21)(H,20,22).
What are the key properties of 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide has a molecular weight of 338.83 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18168914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).