4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide

C22H23ClN2O3 — CID 34179247

IUPAC4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)COc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C22H23ClN2O3/c23-17-2-1-3-20(12-17)28-14-21(26)25(19-10-11-19)13-15-4-6-16(7-5-15)22(27)24-18-8-9-18/h1-7,12,18-19H,8-11,13-14H2,(H,24,27)
InChIKeyZCORGOVYLQVQIX-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.80
Rot. Bonds8

About 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide

4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide (PubChem CID 34179247) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
PubChem CID34179247
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)COc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C22H23ClN2O3/c23-17-2-1-3-20(12-17)28-14-21(26)25(19-10-11-19)13-15-4-6-16(7-5-15)22(27)24-18-8-9-18/h1-7,12,18-19H,8-11,13-14H2,(H,24,27)
InChIKeyZCORGOVYLQVQIX-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 33341817
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
2,3-dichloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide
CID 33341415
2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
(2R)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100553664
2-[[2-(3-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132613698
2-[[2-(3-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132614186
2-(3-acetylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 18198380
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide (CID 34179247) is 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(CN(C(=O)COc2cccc(Cl)c2)C2CC2)cc1.
What is the InChIKey of 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The InChIKey is ZCORGOVYLQVQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-17-2-1-3-20(12-17)28-14-21(26)25(19-10-11-19)13-15-4-6-16(7-5-15)22(27)24-18-8-9-18/h1-7,12,18-19H,8-11,13-14H2,(H,24,27).
What are the key properties of 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 34179247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).