4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide

C23H25ClN2O3 — CID 33341817

IUPAC4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C23H25ClN2O3/c1-15-12-18(24)6-11-21(15)29-14-22(27)26(20-9-10-20)13-16-2-4-17(5-3-16)23(28)25-19-7-8-19/h2-6,11-12,19-20H,7-10,13-14H2,1H3,(H,25,28)
InChIKeyCWVRLDUTTKJRNS-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.11
Rot. Bonds8

About 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide

4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide (PubChem CID 33341817) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
PubChem CID33341817
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESCc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C23H25ClN2O3/c1-15-12-18(24)6-11-21(15)29-14-22(27)26(20-9-10-20)13-16-2-4-17(5-3-16)23(28)25-19-7-8-19/h2-6,11-12,19-20H,7-10,13-14H2,1H3,(H,25,28)
InChIKeyCWVRLDUTTKJRNS-UHFFFAOYSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179247
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
2-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41080888
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7493477
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide (CID 33341817) is 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide is Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The InChIKey is CWVRLDUTTKJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-15-12-18(24)6-11-21(15)29-14-22(27)26(20-9-10-20)13-16-2-4-17(5-3-16)23(28)25-19-7-8-19/h2-6,11-12,19-20H,7-10,13-14H2,1H3,(H,25,28).
What are the key properties of 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide has a molecular weight of 412.92 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 33341817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).