N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

C20H21ClN2O3 — CID 134021116

IUPACN-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)COc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13(22-19(24)12-26-18-5-3-2-4-17(18)21)14-8-10-16(11-9-14)23-20(25)15-6-7-15/h2-5,8-11,13,15H,6-7,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyXJZGOYQRVRLIQQ-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.94
Rot. Bonds7

About N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 134021116) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID134021116
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)COc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-13(22-19(24)12-26-18-5-3-2-4-17(18)21)14-8-10-16(11-9-14)23-20(25)15-6-7-15/h2-5,8-11,13,15H,6-7,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyXJZGOYQRVRLIQQ-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
N-[1-(4-tert-butylphenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 132652703
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
methyl 5-[[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]amino]-5-oxopentanoate
CID 97347644

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 134021116) is N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)COc1ccccc1Cl)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XJZGOYQRVRLIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-13(22-19(24)12-26-18-5-3-2-4-17(18)21)14-8-10-16(11-9-14)23-20(25)15-6-7-15/h2-5,8-11,13,15H,6-7,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).