N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide

C19H23ClN2O3 — CID 112989711

IUPACN-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(Nc2ccc(NC(=O)C(C)(C)C)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H23ClN2O3/c1-19(2,3)18(23)22-13-8-6-12(7-9-13)21-15-11-16(24-4)14(20)10-17(15)25-5/h6-11,21H,1-5H3,(H,22,23)
InChIKeyFUFLOYCNBHXPJP-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.09
Rot. Bonds5

About N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide

N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide (PubChem CID 112989711) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide
PubChem CID112989711
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide
SMILESCOc1cc(Nc2ccc(NC(=O)C(C)(C)C)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H23ClN2O3/c1-19(2,3)18(23)22-13-8-6-12(7-9-13)21-15-11-16(24-4)14(20)10-17(15)25-5/h6-11,21H,1-5H3,(H,22,23)
InChIKeyFUFLOYCNBHXPJP-UHFFFAOYSA-N
XLogP5.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]oxane-4-carboxamide
CID 112989722
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
CID 3006462
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967417
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967518
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
N-tert-butyl-N'-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108966057
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide (CID 112989711) is N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide is COc1cc(Nc2ccc(NC(=O)C(C)(C)C)cc2)c(OC)cc1Cl.
What is the InChIKey of N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is FUFLOYCNBHXPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-19(2,3)18(23)22-13-8-6-12(7-9-13)21-15-11-16(24-4)14(20)10-17(15)25-5/h6-11,21H,1-5H3,(H,22,23).
What are the key properties of N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide?
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 362.86 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112989711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).