N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide

C19H21ClN2O3 — CID 1313538

IUPACN-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(CC)cc2)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-13-5-8-15(9-6-13)25-12-19(24)22-17-11-14(7-10-16(17)20)21-18(23)4-2/h5-11H,3-4,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDDOVAIGOFIRHJV-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.27
Rot. Bonds7

About N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide

N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 1313538) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID1313538
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(CC)cc2)c1
InChIInChI=1S/C19H21ClN2O3/c1-3-13-5-8-15(9-6-13)25-12-19(24)22-17-11-14(7-10-16(17)20)21-18(23)4-2/h5-11H,3-4,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDDOVAIGOFIRHJV-UHFFFAOYSA-N
XLogP4.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 2995282
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
2-amino-N-[3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192498
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide (CID 1313538) is N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(CC)cc2)c1.
What is the InChIKey of N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is DDOVAIGOFIRHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-13-5-8-15(9-6-13)25-12-19(24)22-17-11-14(7-10-16(17)20)21-18(23)4-2/h5-11H,3-4,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide?
N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 360.84 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 1313538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).