N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide

C20H22Cl2N2O4 — CID 162644895

IUPACN-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(C(=O)NCCC(N)=O)c2Cl)cc1C(C)C
InChIInChI=1S/C20H22Cl2N2O4/c1-11(2)14-10-12(4-7-16(14)27-3)28-19-15(21)6-5-13(18(19)22)20(26)24-9-8-17(23)25/h4-7,10-11H,8-9H2,1-3H3,(H2,23,25)(H,24,26)
InChIKeyFFXOHCKDRXSKQS-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.52
Rot. Bonds8

About N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide

N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide (PubChem CID 162644895) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
PubChem CID162644895
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC NameN-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide
SMILESCOc1ccc(Oc2c(Cl)ccc(C(=O)NCCC(N)=O)c2Cl)cc1C(C)C
InChIInChI=1S/C20H22Cl2N2O4/c1-11(2)14-10-12(4-7-16(14)27-3)28-19-15(21)6-5-13(18(19)22)20(26)24-9-8-17(23)25/h4-7,10-11H,8-9H2,1-3H3,(H2,23,25)(H,24,26)
InChIKeyFFXOHCKDRXSKQS-UHFFFAOYSA-N
XLogP4.52
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxybenzamide
CID 118334593
N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-4-methylsulfonylbenzamide
CID 155781859
2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 155781906
N-[[2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methyl]-1-sulfamoylazetidine-3-carboxamide
CID 162644465
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide
CID 11496131
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-propan-2-yloxybenzamide
CID 118324514
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635955
3-(2-amino-2-oxoethoxy)-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 42949112
4-[4-(2,4-dichloro-5-methylphenoxy)-1,1,1-trifluorobutan-2-yl]-N-methylbenzamide
CID 176432962
2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853041
2,4-dichloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 29766355
1-(2-chlorobenzoyl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 50804309

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide (CID 162644895) is N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide is COc1ccc(Oc2c(Cl)ccc(C(=O)NCCC(N)=O)c2Cl)cc1C(C)C.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
The InChIKey is FFXOHCKDRXSKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-11(2)14-10-12(4-7-16(14)27-3)28-19-15(21)6-5-13(18(19)22)20(26)24-9-8-17(23)25/h4-7,10-11H,8-9H2,1-3H3,(H2,23,25)(H,24,26).
What are the key properties of N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide?
N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide has a molecular weight of 425.31 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2,4-dichloro-3-(4-methoxy-3-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 162644895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).