N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide

C18H17Cl3N2O3 — CID 112827932

IUPACN-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H17Cl3N2O3/c1-2-3-17(24)22-11-4-6-14(20)16(8-11)23-18(25)10-26-12-5-7-13(19)15(21)9-12/h4-9H,2-3,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyGUKIXASSRITDNW-UHFFFAOYSA-N
MW415.70 g/mol
LogP5.40
Rot. Bonds7

About N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide

N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide (PubChem CID 112827932) has the molecular formula C18H17Cl3N2O3 and a molecular weight of 415.70 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
PubChem CID112827932
Molecular FormulaC18H17Cl3N2O3
Molecular Weight415.70 g/mol
Exact Mass414.03
IUPAC NameN-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H17Cl3N2O3/c1-2-3-17(24)22-11-4-6-14(20)16(8-11)23-18(25)10-26-12-5-7-13(19)15(21)9-12/h4-9H,2-3,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyGUKIXASSRITDNW-UHFFFAOYSA-N
XLogP5.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.70
LogP ≤ 55.40
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-[4-chloro-3-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide
CID 4512216
N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
N-[3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-4-chlorophenyl]butanamide
CID 4512219
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-[3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-chlorophenyl]butanamide
CID 17174600
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
CID 4508582

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide (CID 112827932) is N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
The InChIKey is GUKIXASSRITDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3/c1-2-3-17(24)22-11-4-6-14(20)16(8-11)23-18(25)10-26-12-5-7-13(19)15(21)9-12/h4-9H,2-3,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide?
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide has a molecular weight of 415.70 g/mol, XLogP of 5.40, 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-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 112827932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).