2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide

C19H22ClN3O3 — CID 47018355

IUPAC2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-4-26-18-8-6-5-7-17(18)23-19(25)12(2)21-14-9-10-16(15(20)11-14)22-13(3)24/h5-12,21H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPZCKUGPHOWRTSW-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.14
Rot. Bonds7

About 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide

2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 47018355) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID47018355
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-4-26-18-8-6-5-7-17(18)23-19(25)12(2)21-14-9-10-16(15(20)11-14)22-13(3)24/h5-12,21H,4H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPZCKUGPHOWRTSW-UHFFFAOYSA-N
XLogP4.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 110900389
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-(2-ethoxyphenyl)propanamide
CID 32508323
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60583133
(2S)-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(2-ethoxyphenyl)propanamide
CID 37304550
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
N-(2-ethoxyphenyl)-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 55684249
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586
N-(4-acetamido-3-chlorophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 25470676

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide (CID 47018355) is 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)C(C)Nc1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is PZCKUGPHOWRTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-4-26-18-8-6-5-7-17(18)23-19(25)12(2)21-14-9-10-16(15(20)11-14)22-13(3)24/h5-12,21H,4H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide?
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 375.86 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 47018355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).