N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide

C18H20ClN3O3 — CID 51115534

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H20ClN3O3/c1-11(13-6-8-15(9-7-13)22-18(20)24)21-17(23)12(2)25-16-5-3-4-14(19)10-16/h3-12H,1-2H3,(H,21,23)(H3,20,22,24)
InChIKeyVRQFEVCTHUGWJA-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.48
Rot. Bonds6

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide (PubChem CID 51115534) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide
PubChem CID51115534
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C18H20ClN3O3/c1-11(13-6-8-15(9-7-13)22-18(20)24)21-17(23)12(2)25-16-5-3-4-14(19)10-16/h3-12H,1-2H3,(H,21,23)(H3,20,22,24)
InChIKeyVRQFEVCTHUGWJA-UHFFFAOYSA-N
XLogP3.48
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856413
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide (CID 51115534) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide?
The InChIKey is VRQFEVCTHUGWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11(13-6-8-15(9-7-13)22-18(20)24)21-17(23)12(2)25-16-5-3-4-14(19)10-16/h3-12H,1-2H3,(H,21,23)(H3,20,22,24).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide has a molecular weight of 361.83 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 51115534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).