N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide

C18H20ClNO3 — CID 132591041

IUPACN-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Oc2ccc(CO)cc2)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-18(2,3)17(22)20-13-6-9-16(15(19)10-13)23-14-7-4-12(11-21)5-8-14/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyJAKOXXYCLSCDPD-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.61
Rot. Bonds4

About N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide

N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide (PubChem CID 132591041) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide
PubChem CID132591041
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Oc2ccc(CO)cc2)c(Cl)c1
InChIInChI=1S/C18H20ClNO3/c1-18(2,3)17(22)20-13-6-9-16(15(19)10-13)23-14-7-4-12(11-21)5-8-14/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyJAKOXXYCLSCDPD-UHFFFAOYSA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(4-methylphenoxy)phenyl]carbamate
CID 23451831
[4-(4-amino-2-chlorophenoxy)phenyl]methanol
CID 61229518
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
CID 132591036
1-(3-chloro-4-phenoxyphenyl)-3-methylurea
CID 139434055
4-[3-chloro-4-(4-chlorophenoxy)anilino]-4-oxobutanoic acid
CID 3746788
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
S-methyl N-(3-chloro-4-phenoxyphenyl)carbamothioate
CID 12806991
N-[4-(4-ethoxyphenoxy)phenyl]-2,2-dimethylpropanamide
CID 26242416
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
2-[3-[2-(tert-butylsulfanylmethyl)-4-(2,2-dimethylpropanoylamino)phenoxy]-5-chlorophenyl]acetic acid
CID 44599319

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide (CID 132591041) is N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Oc2ccc(CO)cc2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide?
The InChIKey is JAKOXXYCLSCDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-18(2,3)17(22)20-13-6-9-16(15(19)10-13)23-14-7-4-12(11-21)5-8-14/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide?
N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide has a molecular weight of 333.82 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 132591041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).