2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide

C18H20ClNO3 — CID 17154741

IUPAC2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1cccc(NC(=O)C(C)Oc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-12(2)22-15-8-6-7-14(11-15)20-18(21)13(3)23-17-10-5-4-9-16(17)19/h4-13H,1-3H3,(H,20,21)
InChIKeyYBKQVLKBAGCRHQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.53
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide

2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide (PubChem CID 17154741) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
PubChem CID17154741
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1cccc(NC(=O)C(C)Oc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-12(2)22-15-8-6-7-14(11-15)20-18(21)13(3)23-17-10-5-4-9-16(17)19/h4-13H,1-3H3,(H,20,21)
InChIKeyYBKQVLKBAGCRHQ-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
(2R)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 94027173
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 38013113
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide (CID 17154741) is 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide is CC(C)Oc1cccc(NC(=O)C(C)Oc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
The InChIKey is YBKQVLKBAGCRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-12(2)22-15-8-6-7-14(11-15)20-18(21)13(3)23-17-10-5-4-9-16(17)19/h4-13H,1-3H3,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide?
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 17154741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).