2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide

C20H23ClN2O3 — CID 69058857

IUPAC2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC1(C)Oc2ccc(CC(=O)NCc3ccc(Cl)cc3)cc2C(N)C1O
InChIInChI=1S/C20H23ClN2O3/c1-20(2)19(25)18(22)15-9-13(5-8-16(15)26-20)10-17(24)23-11-12-3-6-14(21)7-4-12/h3-9,18-19,25H,10-11,22H2,1-2H3,(H,23,24)
InChIKeyVMWKBNNUBAKQCJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.73
Rot. Bonds4

About 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide

2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 69058857) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID69058857
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCC1(C)Oc2ccc(CC(=O)NCc3ccc(Cl)cc3)cc2C(N)C1O
InChIInChI=1S/C20H23ClN2O3/c1-20(2)19(25)18(22)15-9-13(5-8-16(15)26-20)10-17(24)23-11-12-3-6-14(21)7-4-12/h3-9,18-19,25H,10-11,22H2,1-2H3,(H,23,24)
InChIKeyVMWKBNNUBAKQCJ-UHFFFAOYSA-N
XLogP2.73
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
CID 113199023
4-amino-6-bromo-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 15634796
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide (CID 69058857) is 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide is CC1(C)Oc2ccc(CC(=O)NCc3ccc(Cl)cc3)cc2C(N)C1O.
What is the InChIKey of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is VMWKBNNUBAKQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-20(2)19(25)18(22)15-9-13(5-8-16(15)26-20)10-17(24)23-11-12-3-6-14(21)7-4-12/h3-9,18-19,25H,10-11,22H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide?
2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 69058857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).