4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide

C19H25ClN4O2 — CID 14116928

IUPAC4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCc1ccccn1
InChIInChI=1S/C19H25ClN4O2/c1-3-24(4-2)10-9-23-19(25)15-11-16(20)17(21)12-18(15)26-13-14-7-5-6-8-22-14/h5-8,11-12H,3-4,9-10,13,21H2,1-2H3,(H,23,25)
InChIKeyWJXMHSPYDSGKRB-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.97
Rot. Bonds9

About 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide (PubChem CID 14116928) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide
PubChem CID14116928
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCc1ccccn1
InChIInChI=1S/C19H25ClN4O2/c1-3-24(4-2)10-9-23-19(25)15-11-16(20)17(21)12-18(15)26-13-14-7-5-6-8-22-14/h5-8,11-12H,3-4,9-10,13,21H2,1-2H3,(H,23,25)
InChIKeyWJXMHSPYDSGKRB-UHFFFAOYSA-N
XLogP2.97
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

acetic acid;4-amino-2-(2-amino-2-oxoethoxy)-5-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrate
CID 67926077
acetic acid;4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(formamidomethoxy)benzamide
CID 88513966
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-hydroxybutan-2-yloxy)benzamide
CID 14116911
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CID 173373116
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-hydroxyiminobutan-2-yloxy)benzamide
CID 72727524
4-amino-5-chloro-N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxybenzamide
CID 119841244
2-chloro-4-N-[2-(diethylamino)ethyl]-5-methoxy-1-N-oxidobenzene-1,4-dicarboxamide
CID 12883877
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
CID 12861895
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(hydroxymethyl)benzamide;sulfuric acid
CID 175479725
4-amino-5-chloro-2-methoxy-N-pyridin-2-ylbenzamide
CID 110465014
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide (CID 14116928) is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide is CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OCc1ccccn1.
What is the InChIKey of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is WJXMHSPYDSGKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-3-24(4-2)10-9-23-19(25)15-11-16(20)17(21)12-18(15)26-13-14-7-5-6-8-22-14/h5-8,11-12H,3-4,9-10,13,21H2,1-2H3,(H,23,25).
What are the key properties of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide?
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 376.89 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 14116928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).