N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide

C19H22ClNO2 — CID 42904434

IUPACN-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H22ClNO2/c1-13(23-15-11-9-14(20)10-12-15)18(22)21-17-8-6-5-7-16(17)19(2,3)4/h5-13H,1-4H3,(H,21,22)
InChIKeyQTNLGTMJUPZOTQ-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.04
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide

N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide (PubChem CID 42904434) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
PubChem CID42904434
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H22ClNO2/c1-13(23-15-11-9-14(20)10-12-15)18(22)21-17-8-6-5-7-16(17)19(2,3)4/h5-13H,1-4H3,(H,21,22)
InChIKeyQTNLGTMJUPZOTQ-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(4-chlorophenoxy)propanoate
CID 3253397
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 51193962
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 53266580
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide (CID 42904434) is N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide?
The InChIKey is QTNLGTMJUPZOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13(23-15-11-9-14(20)10-12-15)18(22)21-17-8-6-5-7-16(17)19(2,3)4/h5-13H,1-4H3,(H,21,22).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide?
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide has a molecular weight of 331.84 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 42904434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).