2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide

C15H16ClN5O5 — CID 55619349

IUPAC2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide
SMILESCOc1ccnc(NNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)n1
InChIInChI=1S/C15H16ClN5O5/c1-24-10-6-8(5-9(16)13(10)26-7-11(17)22)14(23)20-21-15-18-4-3-12(19-15)25-2/h3-6H,7H2,1-2H3,(H2,17,22)(H,20,23)(H,18,19,21)
InChIKeyYDYDHLLCPLDOMB-UHFFFAOYSA-N
MW381.78 g/mol
LogP0.77
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide (PubChem CID 55619349) has the molecular formula C15H16ClN5O5 and a molecular weight of 381.78 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide
PubChem CID55619349
Molecular FormulaC15H16ClN5O5
Molecular Weight381.78 g/mol
Exact Mass381.08
IUPAC Name2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide
SMILESCOc1ccnc(NNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)n1
InChIInChI=1S/C15H16ClN5O5/c1-24-10-6-8(5-9(16)13(10)26-7-11(17)22)14(23)20-21-15-18-4-3-12(19-15)25-2/h3-6H,7H2,1-2H3,(H2,17,22)(H,20,23)(H,18,19,21)
InChIKeyYDYDHLLCPLDOMB-UHFFFAOYSA-N
XLogP0.77
TPSA137.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenyl)methoxy]-3-methoxy-N'-(4-methoxypyrimidin-2-yl)benzohydrazide
CID 55619649
4-(2-amino-2-oxoethoxy)-3-chloro-N-(3-hydroxy-2-pyridinyl)-5-methoxybenzamide
CID 29476148
3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
CID 26120040
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55820158
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 119139147
4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
CID 55840241
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2-fluoro-5-methylphenyl)-5-methoxybenzamide
CID 42475729

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide (CID 55619349) is 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide is COc1ccnc(NNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)n1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide?
The InChIKey is YDYDHLLCPLDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O5/c1-24-10-6-8(5-9(16)13(10)26-7-11(17)22)14(23)20-21-15-18-4-3-12(19-15)25-2/h3-6H,7H2,1-2H3,(H2,17,22)(H,20,23)(H,18,19,21).
What are the key properties of 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide has a molecular weight of 381.78 g/mol, XLogP of 0.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide is sourced from PubChem (CID 55619349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).