2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide

C17H19ClN2O2 — CID 175087244

IUPAC2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide
SMILESCC(N)(Cc1ccc(COc2cccc(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H19ClN2O2/c1-17(20,16(19)21)10-12-5-7-13(8-6-12)11-22-15-4-2-3-14(18)9-15/h2-9H,10-11,20H2,1H3,(H2,19,21)
InChIKeyLNYNMEFFVKRADV-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.66
Rot. Bonds6

About 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide

2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide (PubChem CID 175087244) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide
PubChem CID175087244
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide
SMILESCC(N)(Cc1ccc(COc2cccc(Cl)c2)cc1)C(N)=O
InChIInChI=1S/C17H19ClN2O2/c1-17(20,16(19)21)10-12-5-7-13(8-6-12)11-22-15-4-2-3-14(18)9-15/h2-9H,10-11,20H2,1H3,(H2,19,21)
InChIKeyLNYNMEFFVKRADV-UHFFFAOYSA-N
XLogP2.66
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
CID 22421197
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
2-amino-2-methyl-3-[4-(pyridin-4-ylmethoxy)phenyl]propanamide;methanesulfonic acid
CID 174299048
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62336178
3-(3-chlorophenoxy)propanamide
CID 23512799
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
(3-aminophenyl)methyl N-tert-butyl-N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 174734747
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
CID 119521607
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide (CID 175087244) is 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide is CC(N)(Cc1ccc(COc2cccc(Cl)c2)cc1)C(N)=O.
What is the InChIKey of 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide?
The InChIKey is LNYNMEFFVKRADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(20,16(19)21)10-12-5-7-13(8-6-12)11-22-15-4-2-3-14(18)9-15/h2-9H,10-11,20H2,1H3,(H2,19,21).
What are the key properties of 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide?
2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide has a molecular weight of 318.80 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 175087244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).