4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide

C20H23ClN2O4 — CID 9429637

IUPAC4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(OCCN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O4/c1-23(13-14-27-18-9-7-17(26-2)8-10-18)19(24)11-12-22-20(25)15-3-5-16(21)6-4-15/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyNNVMXIFGXXXMJG-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.01
Rot. Bonds9

About 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide

4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide (PubChem CID 9429637) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
PubChem CID9429637
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc(OCCN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O4/c1-23(13-14-27-18-9-7-17(26-2)8-10-18)19(24)11-12-22-20(25)15-3-5-16(21)6-4-15/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyNNVMXIFGXXXMJG-UHFFFAOYSA-N
XLogP3.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(4-chlorophenoxy)propyl-methylamino]-3-oxopropyl]benzamide
CID 55896935
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
N-[4-[2-(4-methoxyphenoxy)ethyl-methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 31285164
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
CID 24682481
4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
CID 18283094
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
tert-butyl N-[4-[2-(4-chlorophenoxy)ethyl-methylamino]-4-oxobutyl]carbamate
CID 55406068
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide (CID 9429637) is 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide is COc1ccc(OCCN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide?
The InChIKey is NNVMXIFGXXXMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-23(13-14-27-18-9-7-17(26-2)8-10-18)19(24)11-12-22-20(25)15-3-5-16(21)6-4-15/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide has a molecular weight of 390.87 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9429637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).