2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide

C15H21ClN3O4- — CID 12883877

IUPAC2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(C(=O)N[O-])cc1OC
InChIInChI=1S/C15H21ClN3O4/c1-4-19(5-2)7-6-17-14(20)11-8-12(16)10(15(21)18-22)9-13(11)23-3/h8-9H,4-7H2,1-3H3,(H2-,17,18,20,21,22)/q-1
InChIKeySMLQRDZXIVFACB-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.65
Rot. Bonds8

About 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide

2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide (PubChem CID 12883877) has the molecular formula C15H21ClN3O4- and a molecular weight of 342.80 g/mol. Its IUPAC name is 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
PubChem CID12883877
Molecular FormulaC15H21ClN3O4-
Molecular Weight342.80 g/mol
Exact Mass342.12
IUPAC Name2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(C(=O)N[O-])cc1OC
InChIInChI=1S/C15H21ClN3O4/c1-4-19(5-2)7-6-17-14(20)11-8-12(16)10(15(21)18-22)9-13(11)23-3/h8-9H,4-7H2,1-3H3,(H2-,17,18,20,21,22)/q-1
InChIKeySMLQRDZXIVFACB-UHFFFAOYSA-N
XLogP1.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-hydroxybutan-2-yloxy)benzamide
CID 14116911
[5-amino-4-chloro-2-[2-(diethylamino)ethylcarbamoyl]phenyl] N-methoxypropanimidate
CID 173373116
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-(2-aminoethyl)-4,5-dichloro-2-methoxybenzamide;hydrochloride
CID 119384245
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
acetic acid;4-amino-2-(2-amino-2-oxoethoxy)-5-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrate
CID 67926077
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide
CID 14116928
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide (CID 12883877) is 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide is CCN(CC)CCNC(=O)c1cc(Cl)c(C(=O)N[O-])cc1OC.
What is the InChIKey of 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide?
The InChIKey is SMLQRDZXIVFACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN3O4/c1-4-19(5-2)7-6-17-14(20)11-8-12(16)10(15(21)18-22)9-13(11)23-3/h8-9H,4-7H2,1-3H3,(H2-,17,18,20,21,22)/q-1.
What are the key properties of 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide?
2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide has a molecular weight of 342.80 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide is sourced from PubChem (CID 12883877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).