2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide

C22H25Cl2N3O5 — CID 55745695

IUPAC2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C22H25Cl2N3O5/c1-4-25-19(28)12-32-17-9-8-14(10-18(17)31-3)11-26-21(29)13(2)27-22(30)15-6-5-7-16(23)20(15)24/h5-10,13H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRTPQPFYBPBTZEL-UHFFFAOYSA-N
MW482.36 g/mol
LogP2.95
Rot. Bonds10

About 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 55745695) has the molecular formula C22H25Cl2N3O5 and a molecular weight of 482.36 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID55745695
Molecular FormulaC22H25Cl2N3O5
Molecular Weight482.36 g/mol
Exact Mass481.12
IUPAC Name2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C22H25Cl2N3O5/c1-4-25-19(28)12-32-17-9-8-14(10-18(17)31-3)11-26-21(29)13(2)27-22(30)15-6-5-7-16(23)20(15)24/h5-10,13H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyRTPQPFYBPBTZEL-UHFFFAOYSA-N
XLogP2.95
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55381424
2-chloro-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 9269951
2,3-dichloro-N-[1-[(2-methoxynaphthalen-1-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55738713
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627
2-[4-[[[N-[2-(2-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 111883005
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 166191071
benzyl N-[(2S)-1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55940762
2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 25346113
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55745888

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide (CID 55745695) is 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide is CCNC(=O)COc1ccc(CNC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)cc1OC.
What is the InChIKey of 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is RTPQPFYBPBTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O5/c1-4-25-19(28)12-32-17-9-8-14(10-18(17)31-3)11-26-21(29)13(2)27-22(30)15-6-5-7-16(23)20(15)24/h5-10,13H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 482.36 g/mol, XLogP of 2.95, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55745695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).