2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide

C19H18ClN3O3 — CID 108923964

IUPAC2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CNC(=O)CC#N)c1
InChIInChI=1S/C19H18ClN3O3/c1-13(26-17-7-5-15(20)6-8-17)19(25)23-16-4-2-3-14(11-16)12-22-18(24)9-10-21/h2-8,11,13H,9,12H2,1H3,(H,22,24)(H,23,25)
InChIKeySQUNZAVELQVASN-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.28
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide

2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide (PubChem CID 108923964) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide
PubChem CID108923964
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CNC(=O)CC#N)c1
InChIInChI=1S/C19H18ClN3O3/c1-13(26-17-7-5-15(20)6-8-17)19(25)23-16-4-2-3-14(11-16)12-22-18(24)9-10-21/h2-8,11,13H,9,12H2,1H3,(H,22,24)(H,23,25)
InChIKeySQUNZAVELQVASN-UHFFFAOYSA-N
XLogP3.28
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-ethylbutanamide
CID 108924026
4-chloro-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]benzamide
CID 108923881
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
3-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923896
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
N-[3-(benzenesulfinylmethyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 86956484
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
tert-butyl N-[2-oxo-2-[[3-[2-(4-propan-2-ylphenoxy)propanoylamino]phenyl]methylamino]ethyl]carbamate
CID 108918406
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 2665735
N-[3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 25483945

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide (CID 108923964) is 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(CNC(=O)CC#N)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is SQUNZAVELQVASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-13(26-17-7-5-15(20)6-8-17)19(25)23-16-4-2-3-14(11-16)12-22-18(24)9-10-21/h2-8,11,13H,9,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide?
2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 371.82 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 108923964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).