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

C18H19ClN2O4 — CID 2995282

IUPACN-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C18H19ClN2O4/c1-3-17(22)20-12-4-9-15(19)16(10-12)21-18(23)11-25-14-7-5-13(24-2)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZIPBJFVRVZSUGC-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.71
Rot. Bonds7

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

N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 2995282) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID2995282
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C18H19ClN2O4/c1-3-17(22)20-12-4-9-15(19)16(10-12)21-18(23)11-25-14-7-5-13(24-2)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZIPBJFVRVZSUGC-UHFFFAOYSA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300469
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-[5-[[2-(4-tert-butylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761066
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
CID 55799104

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide (CID 2995282) is N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(OC)cc2)c1.
What is the InChIKey of N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is ZIPBJFVRVZSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-17(22)20-12-4-9-15(19)16(10-12)21-18(23)11-25-14-7-5-13(24-2)6-8-14/h4-10H,3,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide?
N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 362.81 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 2995282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).