4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide

C19H20ClN3O6 — CID 55840241

IUPAC4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCCC(N)=O)cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H20ClN3O6/c1-27-15-9-11(8-14(20)18(15)29-10-17(22)25)19(26)23-12-2-4-13(5-3-12)28-7-6-16(21)24/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H2,22,25)(H,23,26)
InChIKeyITZMXCZHGAWNAN-UHFFFAOYSA-N
MW421.84 g/mol
LogP1.72
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide (PubChem CID 55840241) has the molecular formula C19H20ClN3O6 and a molecular weight of 421.84 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
PubChem CID55840241
Molecular FormulaC19H20ClN3O6
Molecular Weight421.84 g/mol
Exact Mass421.10
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCCC(N)=O)cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H20ClN3O6/c1-27-15-9-11(8-14(20)18(15)29-10-17(22)25)19(26)23-12-2-4-13(5-3-12)28-7-6-16(21)24/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H2,22,25)(H,23,26)
InChIKeyITZMXCZHGAWNAN-UHFFFAOYSA-N
XLogP1.72
TPSA142.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 27901919
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 9247227
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
4-butoxy-3-chloro-N-[4-(difluoromethoxy)phenyl]-5-methoxybenzamide
CID 18266478
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729
4-butoxy-3-chloro-5-methoxy-N-(4-phenylphenyl)benzamide
CID 7969022

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide (CID 55840241) is 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide is COc1cc(C(=O)Nc2ccc(OCCC(N)=O)cc2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide?
The InChIKey is ITZMXCZHGAWNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O6/c1-27-15-9-11(8-14(20)18(15)29-10-17(22)25)19(26)23-12-2-4-13(5-3-12)28-7-6-16(21)24/h2-5,8-9H,6-7,10H2,1H3,(H2,21,24)(H2,22,25)(H,23,26).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide has a molecular weight of 421.84 g/mol, XLogP of 1.72, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide is sourced from PubChem (CID 55840241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).