2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide

C15H19ClN2O3 — CID 47036707

IUPAC2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
SMILESO=C(COCC1CC1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-13-4-2-1-3-12(13)15(20)18-8-7-17-14(19)10-21-9-11-5-6-11/h1-4,11H,5-10H2,(H,17,19)(H,18,20)
InChIKeyMOWLOYCDSMWILX-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.61
Rot. Bonds8

About 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide

2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide (PubChem CID 47036707) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
PubChem CID47036707
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
SMILESO=C(COCC1CC1)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-13-4-2-1-3-12(13)15(20)18-8-7-17-14(19)10-21-9-11-5-6-11/h1-4,11H,5-10H2,(H,17,19)(H,18,20)
InChIKeyMOWLOYCDSMWILX-UHFFFAOYSA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.61
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-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
CID 18168914
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
CID 119703573
2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
CID 119703587
1-(2-chlorophenyl)-2-(cyclopentylmethoxy)ethanone
CID 66322654
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[2-(3-cyclopentylpropylamino)-2-oxoethyl]benzamide
CID 38335877
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide (CID 47036707) is 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide is O=C(COCC1CC1)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is MOWLOYCDSMWILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-13-4-2-1-3-12(13)15(20)18-8-7-17-14(19)10-21-9-11-5-6-11/h1-4,11H,5-10H2,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 310.78 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 47036707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).