N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

C19H22ClNO3 — CID 42989189

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22ClNO3/c1-12(2)14-5-8-16(9-6-14)24-13(3)19(22)21-17-11-15(20)7-10-18(17)23-4/h5-13H,1-4H3,(H,21,22)
InChIKeyWFQKXJHFNLKLKC-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.88
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 42989189) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID42989189
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H22ClNO3/c1-12(2)14-5-8-16(9-6-14)24-13(3)19(22)21-17-11-15(20)7-10-18(17)23-4/h5-13H,1-4H3,(H,21,22)
InChIKeyWFQKXJHFNLKLKC-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
N-(5-chloro-2-methoxyphenyl)-2-(4-propylphenoxy)propanamide
CID 53265987
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4096963
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide (CID 42989189) is N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is WFQKXJHFNLKLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-12(2)14-5-8-16(9-6-14)24-13(3)19(22)21-17-11-15(20)7-10-18(17)23-4/h5-13H,1-4H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 42989189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).