4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide

C19H20Cl2N2O4 — CID 55582198

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
SMILESCCC(NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O4/c1-3-15(11-5-4-6-13(20)7-11)23-19(25)12-8-14(21)18(16(9-12)26-2)27-10-17(22)24/h4-9,15H,3,10H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyYHFIWVHJYMREFI-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.75
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide (PubChem CID 55582198) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
PubChem CID55582198
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
SMILESCCC(NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1)c1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O4/c1-3-15(11-5-4-6-13(20)7-11)23-19(25)12-8-14(21)18(16(9-12)26-2)27-10-17(22)24/h4-9,15H,3,10H2,1-2H3,(H2,22,24)(H,23,25)
InChIKeyYHFIWVHJYMREFI-UHFFFAOYSA-N
XLogP3.75
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 43010464
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
(3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 24590765
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55923138
4-(2-amino-2-oxoethoxy)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,5-dimethoxybenzamide
CID 55909030
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55820158
3-(2-amino-2-oxoethoxy)-N-[1-(4-chlorophenyl)propyl]benzamide
CID 134048764
(3-chlorophenyl)methyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 55496698
4-(2-amino-2-oxoethoxy)-N-[(4-fluorophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 55583447
4-(2-amino-2-oxoethoxy)-N-[(R)-(4-bromophenyl)-phenylmethyl]-3,5-dimethoxybenzamide
CID 52909496
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55499160

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide (CID 55582198) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide is CCC(NC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1)c1cccc(Cl)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide?
The InChIKey is YHFIWVHJYMREFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-3-15(11-5-4-6-13(20)7-11)23-19(25)12-8-14(21)18(16(9-12)26-2)27-10-17(22)24/h4-9,15H,3,10H2,1-2H3,(H2,22,24)(H,23,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide has a molecular weight of 411.29 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide is sourced from PubChem (CID 55582198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).