N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide

C19H15Cl2N3O3 — CID 139489363

IUPACN-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(Oc3cc(Cl)cnc3N)ccc2Cl)c1
InChIInChI=1S/C19H15Cl2N3O3/c1-26-13-4-2-3-11(7-13)19(25)24-16-9-14(5-6-15(16)21)27-17-8-12(20)10-23-18(17)22/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyRFDCGDYUBFKAPR-UHFFFAOYSA-N
MW404.25 g/mol
LogP5.02
Rot. Bonds5

About N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide

N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide (PubChem CID 139489363) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide
PubChem CID139489363
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC NameN-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(Oc3cc(Cl)cnc3N)ccc2Cl)c1
InChIInChI=1S/C19H15Cl2N3O3/c1-26-13-4-2-3-11(7-13)19(25)24-16-9-14(5-6-15(16)21)27-17-8-12(20)10-23-18(17)22/h2-10H,1H3,(H2,22,23)(H,24,25)
InChIKeyRFDCGDYUBFKAPR-UHFFFAOYSA-N
XLogP5.02
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.25
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-amino-5-chloro-3-pyridinyl)oxy]phenyl]-3-(4-methoxyphenyl)urea
CID 139489185
N-[3-[(1R)-1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methoxybenzamide
CID 139489368
4-chloro-3-[(3-methoxybenzoyl)amino]benzamide
CID 50875837
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
CID 39184782
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-3-methoxybenzamide
CID 3423334
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
3-amino-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 81089771
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yloxybenzamide
CID 90596489
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113022275
N-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113036762

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide?
The IUPAC name of N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide (CID 139489363) is N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(Oc3cc(Cl)cnc3N)ccc2Cl)c1.
What is the InChIKey of N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide?
The InChIKey is RFDCGDYUBFKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c1-26-13-4-2-3-11(7-13)19(25)24-16-9-14(5-6-15(16)21)27-17-8-12(20)10-23-18(17)22/h2-10H,1H3,(H2,22,23)(H,24,25).
What are the key properties of N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide?
N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide has a molecular weight of 404.25 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-chlorophenyl]-3-methoxybenzamide is sourced from PubChem (CID 139489363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).